1-[(3-methylthiophen-2-yl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methylthiophen-2-yl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-methyl-2-thienyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methyl-2-thiophenyl)methyl]-N-[(1R)-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methylthiophen-2-yl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-methyl-2-thienyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2OS/c1-15-10-13-24-19(15)14-22-11-8-18(9-12-22)20(23)21-16(2)17-6-4-3-5-7-17/h3-7,10,13,16,18H,8-9,11-12,14H2,1-2H3,(H,21,23)/p+1/t16-/m1/s1