4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)aniline

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)aniline Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)aniline CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[3-(1-pyrrolidin-1-iumyl)propyl]aniline IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)aniline Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-16-7-13-22(14-8-16)28(26,27)17-5-6-18(19(15-17)23(24)25)20-9-4-12-21-10-2-3-11-21/h5-6,15-16,20H,2-4,7-14H2,1H3/p+1