N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1-propyl-piperidin-1-ium-4-amine

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1-propyl-piperidin-1-ium-4-amine Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-1-propyl-piperidin-1-ium-4-amine CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-propyl-4-piperidin-1-iumamine IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-1-propylpiperidin-1-ium-4-amine Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-(1-propylpiperidin-1-ium-4-yl)amine Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O4S/c1-3-10-22-11-8-17(9-12-22)21-19-5-4-18(15-20(19)24(25)26)29(27,28)23-13-6-16(2)7-14-23/h4-5,15-17,21H,3,6-14H2,1-2H3/p+1