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

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-thiophen-3-yl-propanamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(3-thienyl)propanamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-thiophen-3-ylpropanamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(3-thienyl)propionamide Formula: C22H31N2OS+ MolecularWeight: 371.55934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCC3=CSC=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCC3=CSC=C3

InChI

InChI=1S/C22H30N2OS/c1-23(22(25)12-11-20-13-16-26-18-20)21-10-6-15-24(17-21)14-5-9-19-7-3-2-4-8-19/h2-4,7-8,13,16,18,21H,5-6,9-12,14-15,17H2,1H3/p+1/t21-/m0/s1