(2S)-2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide

Systemtic Name: (2S)-2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide Openeye Name: (2S)-2-(4-methoxy-N-methylsulfonyl-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide CAS Name: (2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]propanamide IUPAC Name: (2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propanamide Traditional Name: (2S)-2-(N-mesyl-4-methoxy-anilino)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]propionamide Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=C1CC[NH+](CC1)C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NN=C1CC[NH+](CC1)C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

InChI

InChI=1S/C17H26N4O4S/c1-13(17(22)19-18-14-9-11-20(2)12-10-14)21(26(4,23)24)15-5-7-16(25-3)8-6-15/h5-8,13H,9-12H2,1-4H3,(H,19,22)/p+1/t13-/m0/s1