[1-methyl-1-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazol-4-yl]-4-naphthalen-1-yl-pyrrol-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [1-methyl-1-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazol-4-yl]-4-naphthalen-1-yl-pyrrol-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-methyl-1-[3-[(1-methylsulfonyl-4-piperidyl)methyl]imidazol-4-yl]-4-(1-naphthyl)pyrrol-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-methyl-1-[3-[(1-methylsulfonyl-4-piperidinyl)methyl]-4-imidazolyl]-4-(1-naphthalenyl)-3-pyrrol-1-iumyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-methyl-1-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]imidazol-4-yl]-4-naphthalen-1-ylpyrrol-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [1-[3-[(1-mesyl-4-piperidyl)methyl]imidazol-4-yl]-1-methyl-4-(1-naphthyl)pyrrol-1-ium-3-yl]-(4-methylpiperazino)methanone Formula: C31H39N6O3S+ MolecularWeight: 575.74476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C[N+](C=C2C3=CC=CC4=CC=CC=C43)(C)C5=CN=CN5CC6CCN(CC6)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C[N+](C=C2C3=CC=CC4=CC=CC=C43)(C)C5=CN=CN5CC6CCN(CC6)S(=O)(=O)C

InChI

InChI=1S/C31H39N6O3S/c1-33-15-17-34(18-16-33)31(38)29-22-37(2,21-28(29)27-10-6-8-25-7-4-5-9-26(25)27)30-19-32-23-35(30)20-24-11-13-36(14-12-24)41(3,39)40/h4-10,19,21-24H,11-18,20H2,1-3H3/q+1