N-methyl-4-[[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[(2S)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[[(2S)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzenesulfonamide Formula: C17H29N4O4S+ MolecularWeight: 385.50156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC(C)C[C@@H](CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C17H28N4O4S/c1-13(2)10-14(20-8-4-5-9-20)12-19-16-7-6-15(26(24,25)18-3)11-17(16)21(22)23/h6-7,11,13-14,18-19H,4-5,8-10,12H2,1-3H3/p+1/t14-/m0/s1