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

Systemtic Name: 1-ethyl-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-1-ium-4-amine Openeye Name: 1-ethyl-N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperidin-1-ium-4-amine CAS Name: 1-ethyl-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-4-piperidin-1-iumamine IUPAC Name: 1-ethyl-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperidin-1-ium-4-amine Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-3-21-10-8-16(9-11-21)20-18-5-4-17(14-19(18)23(24)25)28(26,27)22-12-6-15(2)7-13-22/h4-5,14-16,20H,3,6-13H2,1-2H3/p+1