2-[4-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-anilino]piperidin-1-ium-1-yl]acetamide Formula: C19H30N5O5S+ MolecularWeight: 440.537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O5S/c1-14-4-10-23(11-5-14)30(28,29)16-2-3-17(18(12-16)24(26)27)21-15-6-8-22(9-7-15)13-19(20)25/h2-3,12,14-15,21H,4-11,13H2,1H3,(H2,20,25)/p+1