N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (2-methyl-2-morpholin-4-ium-4-yl-propyl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C19H30N4O5S/c1-19(2,21-10-12-28-13-11-21)15-20-17-7-6-16(14-18(17)23(24)25)29(26,27)22-8-4-3-5-9-22/h6-7,14,20H,3-5,8-13,15H2,1-2H3/p+1