1-[2-[[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[[(S)-p-tolyl(2-thienyl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[[(S)-p-tolyl(2-thienyl)methyl]amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H25N3O2S/c1-14-4-6-15(7-5-14)19(17-3-2-12-26-17)22-18(24)13-23-10-8-16(9-11-23)20(21)25/h2-7,12,16,19H,8-11,13H2,1H3,(H2,21,25)(H,22,24)/p+1/t19-/m0/s1