(3S)-1-(1-phenethylpiperidin-4-yl)-N-propan-2-yl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-phenethylpiperidin-4-yl)-N-propan-2-yl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-isopropyl-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-phenethyl-4-piperidinyl)-N-propan-2-yl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-phenethylpiperidin-4-yl)-N-propan-2-ylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-isopropyl-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CCC[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O/c1-18(2)23-22(26)20-9-6-13-25(17-20)21-11-15-24(16-12-21)14-10-19-7-4-3-5-8-19/h3-5,7-8,18,20-21H,6,9-17H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1