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

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1-(2-methylpropyl)piperidin-1-ium-4-amine Openeye Name: 1-isobutyl-N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperidin-1-ium-4-amine CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-(2-methylpropyl)-4-piperidin-1-iumamine IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-1-(2-methylpropyl)piperidin-1-ium-4-amine Traditional Name: (1-isobutylpiperidin-1-ium-4-yl)-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C21H35N4O4S+ MolecularWeight: 439.592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CC[NH+](CC3)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CC[NH+](CC3)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O4S/c1-16(2)15-23-10-8-18(9-11-23)22-20-5-4-19(14-21(20)25(26)27)30(28,29)24-12-6-17(3)7-13-24/h4-5,14,16-18,22H,6-13,15H2,1-3H3/p+1