N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isonipecotamide Formula: C27H39N4O3S+ MolecularWeight: 499.68856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H38N4O3S/c1-21-19-22(2)26(23(3)20-21)35(33,34)31-12-9-24(10-13-31)27(32)28-11-14-29-15-17-30(18-16-29)25-7-5-4-6-8-25/h4-8,19-20,24H,9-18H2,1-3H3,(H,28,32)/p+1