(4-methylpiperazin-4-ium-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-(2-naphthylsulfonyl)-4-piperidyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[1-(2-naphthalenylsulfonyl)-4-piperidinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-(2-naphthylsulfonyl)-4-piperidyl]methanone Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H27N3O3S/c1-22-12-14-23(15-13-22)21(25)18-8-10-24(11-9-18)28(26,27)20-7-6-17-4-2-3-5-19(17)16-20/h2-7,16,18H,8-15H2,1H3/p+1