(3S)-N-ethyl-N-methyl-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-ethyl-N-methyl-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-ethyl-N-methyl-1-(1-phenethyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-ethyl-N-methyl-1-(1-phenethyl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-ethyl-N-methyl-1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-ethyl-N-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O/c1-3-23(2)22(26)20-10-7-14-25(18-20)21-12-16-24(17-13-21)15-11-19-8-5-4-6-9-19/h4-6,8-9,20-21H,3,7,10-18H2,1-2H3/p+1/t20-/m0/s1