4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitro-aniline

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitro-aniline Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-nitroaniline IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitroaniline Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-16-5-9-22(10-6-16)29(26,27)17-3-4-18(19(15-17)23(24)25)20-7-2-8-21-11-13-28-14-12-21/h3-4,15-16,20H,2,5-14H2,1H3/p+1