[2-[3-[(4-bromophenyl)methyl]imidazol-4-yl]-5-methyl-4-(4-methylpiperazin-1-yl)-3-naphthalen-1-yl-pyrrol-1-ium-1-ylidene]methanone

Systemtic Name: [2-[3-[(4-bromophenyl)methyl]imidazol-4-yl]-5-methyl-4-(4-methylpiperazin-1-yl)-3-naphthalen-1-yl-pyrrol-1-ium-1-ylidene]methanone Openeye Name: [2-[3-[(4-bromophenyl)methyl]imidazol-4-yl]-5-methyl-4-(4-methylpiperazin-1-yl)-3-(1-naphthyl)pyrrol-1-ium-1-ylidene]methanone CAS Name: [2-[3-[(4-bromophenyl)methyl]-4-imidazolyl]-5-methyl-4-(4-methyl-1-piperazinyl)-3-(1-naphthalenyl)-1-pyrrol-1-iumylidene]methanone IUPAC Name: [2-[3-[(4-bromophenyl)methyl]imidazol-4-yl]-5-methyl-4-(4-methylpiperazin-1-yl)-3-naphthalen-1-ylpyrrol-1-ium-1-ylidene]methanone Traditional Name: [2-[3-(4-bromobenzyl)imidazol-4-yl]-5-methyl-4-(4-methylpiperazino)-3-(1-naphthyl)pyrrol-1-ium-1-ylidene]methanone Formula: C31H29BrN5O+ MolecularWeight: 567.49886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C([N+]1=C=O)C2=CN=CN2CC3=CC=C(C=C3)Br)C4=CC=CC5=CC=CC=C54)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C(=C([N+]1=C=O)C2=CN=CN2CC3=CC=C(C=C3)Br)C4=CC=CC5=CC=CC=C54)N6CCN(CC6)C

InChI

InChI=1S/C31H29BrN5O/c1-22-30(35-16-14-34(2)15-17-35)29(27-9-5-7-24-6-3-4-8-26(24)27)31(37(22)21-38)28-18-33-20-36(28)19-23-10-12-25(32)13-11-23/h3-13,18,20H,14-17,19H2,1-2H3/q+1