[(3S)-1-(2-ethanoylphenyl)carbonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(2-ethanoylphenyl)carbonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(2-acetylbenzoyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-[(2-acetylphenyl)-oxomethyl]-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(2-acetylbenzoyl)piperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(2-acetylbenzoyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3C(=O)C

InChI

InChI=1S/C22H27N3O2/c1-3-24(15-18-10-12-23-13-11-18)19-7-6-14-25(16-19)22(27)21-9-5-4-8-20(21)17(2)26/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3/p+1/t19-/m0/s1