N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)piperidin-1-ium-4-amine

Systemtic Name: N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: 1-benzyl-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperidin-1-ium-4-amine CAS Name: N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: 1-benzyl-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-ium-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O4S/c28-27(29)23-17-21(32(30,31)26-13-5-2-6-14-26)9-10-22(23)24-20-11-15-25(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20,24H,2,5-6,11-16,18H2/p+1