N-methyl-4-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[4-[2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[4-[2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[2-keto-2-[(2R)-2-methylpiperidino]ethyl]piperazin-4-ium-1-yl]-N-methyl-3-nitro-benzenesulfonamide Formula: C19H30N5O5S+ MolecularWeight: 440.537

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O5S/c1-15-5-3-4-8-23(15)19(25)14-21-9-11-22(12-10-21)17-7-6-16(30(28,29)20-2)13-18(17)24(26)27/h6-7,13,15,20H,3-5,8-12,14H2,1-2H3/p+1/t15-/m1/s1