N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-thiophen-3-yl-propanamide

Systemtic Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-thiophen-3-yl-propanamide Openeye Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(3-thienyl)propanamide CAS Name: N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-thiophen-3-ylpropanamide Traditional Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(3-thienyl)propionamide Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCC3=CSC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCC3=CSC=C3

InChI

InChI=1S/C21H28N2OS/c24-21(11-10-19-12-15-25-17-19)22-20-9-5-14-23(16-20)13-4-8-18-6-2-1-3-7-18/h1-3,6-7,12,15,17,20H,4-5,8-11,13-14,16H2,(H,22,24)/p+1/t20-/m0/s1