[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]methanone CAS Name: [1-(3-nitrophenyl)sulfonyl-4-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]methanone Formula: C23H29N4O5S+ MolecularWeight: 473.56516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5S/c28-23(25-15-13-24(14-16-25)18-19-5-2-1-3-6-19)20-9-11-26(12-10-20)33(31,32)22-8-4-7-21(17-22)27(29)30/h1-8,17,20H,9-16,18H2/p+1