ethyl-[(3S)-1-(4-oxidanylidene-4-phenyl-butanoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-(4-oxidanylidene-4-phenyl-butanoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(4-oxo-4-phenyl-butanoyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-(1,4-dioxo-4-phenylbutyl)-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(4-keto-4-phenyl-butanoyl)-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-2-25(17-19-12-14-24-15-13-19)21-9-6-16-26(18-21)23(28)11-10-22(27)20-7-4-3-5-8-20/h3-5,7-8,12-15,21H,2,6,9-11,16-18H2,1H3/p+1/t21-/m0/s1