N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-4-thiophen-2-yl-butanamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-(2-thienyl)butanamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-thiophen-2-ylbutanamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-4-(2-thienyl)butyramide Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H26N2OS/c23-20(12-4-10-19-11-6-14-24-19)21-18-9-5-13-22(16-18)15-17-7-2-1-3-8-17/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H,21,23)/p+1/t18-/m0/s1