(3S)-1-(2-phenylethanoyl)-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-phenylethanoyl)-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-phenylacetyl)-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(1-oxo-2-phenylethyl)-N-(1-propyl-4-piperidin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-phenylacetyl)-N-(1-propylpiperidin-1-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-phenylacetyl)-N-(1-propylpiperidin-1-ium-4-yl)nipecotamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2CCCN(C2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)[C@H]2CCCN(C2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2/c1-2-12-24-14-10-20(11-15-24)23-22(27)19-9-6-13-25(17-19)21(26)16-18-7-4-3-5-8-18/h3-5,7-8,19-20H,2,6,9-17H2,1H3,(H,23,27)/p+1/t19-/m0/s1