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

Systemtic Name: ethyl-[(3S)-1-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[oxo-[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[3-(2-ketopyrrolidino)benzoyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

InChI=1S/C24H30N4O2/c1-2-26(17-19-10-12-25-13-11-19)22-8-4-14-27(18-22)24(30)20-6-3-7-21(16-20)28-15-5-9-23(28)29/h3,6-7,10-13,16,22H,2,4-5,8-9,14-15,17-18H2,1H3/p+1/t22-/m0/s1