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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4S/c1-4-22-11-9-17(10-12-22)21(3)19-6-5-18(15-20(19)24(25)26)29(27,28)23-13-7-16(2)8-14-23/h5-6,15-17H,4,7-14H2,1-3H3/p+1