(3S,6S)-6-methyl-N-[(4-sulfamoylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-6-methyl-N-[(4-sulfamoylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-6-methyl-N-[(4-sulfamoylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-6-methyl-N-[(4-sulfamoylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-6-methyl-N-[(4-sulfamoylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-6-methyl-N-(4-sulfamoylbenzyl)piperidin-1-ium-3-carboxamide Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C14H21N3O3S/c1-10-2-5-12(9-16-10)14(18)17-8-11-3-6-13(7-4-11)21(15,19)20/h3-4,6-7,10,12,16H,2,5,8-9H2,1H3,(H,17,18)(H2,15,19,20)/p+1/t10-,12-/m0/s1