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N,N-diethyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide

N,N-diethyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide

Systemtic Name:N,N-diethyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide
Openeye Name:N,N-diethyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide
CAS Name:N,N-diethyl-4-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-3-nitrobenzenesulfonamide
IUPAC Name:N,N-diethyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitrobenzenesulfonamide
Traditional Name:N,N-diethyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide
Formula: C19H33N4O4S+
MolecularWeight: 413.55472
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCC(CC2)C)[N+](=O)[O-]


Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCC(CC2)C)[N+](=O)[O-]


InChI

InChI=1S/C19H32N4O4S/c1-4-22(5-2)28(26,27)17-7-8-18(19(15-17)23(24)25)20-11-6-12-21-13-9-16(3)10-14-21/h7-8,15-16,20H,4-6,9-14H2,1-3H3/p+1


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