methyl-[(3S)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperidin-3-yl]-phenethyl-azanium

Systemtic Name: methyl-[(3S)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperidin-3-yl]-phenethyl-azanium Openeye Name: methyl-[(3S)-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]-3-piperidyl]-phenethyl-ammonium CAS Name: methyl-[(3S)-1-[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3-piperidinyl]-phenethylammonium IUPAC Name: methyl-[(3S)-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-3-yl]-phenethylazanium Traditional Name: [(3S)-1-[4-(2-ketopyrrolidino)benzoyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C25H31N3O2/c1-26(18-15-20-7-3-2-4-8-20)23-9-5-16-27(19-23)25(30)21-11-13-22(14-12-21)28-17-6-10-24(28)29/h2-4,7-8,11-14,23H,5-6,9-10,15-19H2,1H3/p+1/t23-/m0/s1