(2S)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-phenyl-butanamide

Systemtic Name: (2S)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-phenyl-butanamide Openeye Name: (2S)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-phenyl-butanamide CAS Name: (2S)-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-phenylbutanamide IUPAC Name: (2S)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-phenylbutanamide Traditional Name: (2S)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-phenyl-butyramide Formula: C22H31N2OS+ MolecularWeight: 371.55934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2OS/c1-3-19(18-8-5-4-6-9-18)22(25)23-16-20(21-10-7-15-26-21)24-13-11-17(2)12-14-24/h4-10,15,17,19-20H,3,11-14,16H2,1-2H3,(H,23,25)/p+1/t19-,20-/m0/s1