2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-2-yl]ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: 2-[(2S)-5-oxo-1-(p-tolylmethyl)pyrrolidin-2-yl]ethyl-(4-pyridylmethyl)ammonium CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxo-2-pyrrolidinyl]ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: 2-[(2S)-5-keto-1-(4-methylbenzyl)pyrrolidin-2-yl]ethyl-(4-pyridylmethyl)ammonium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(CCC2=O)CC[NH2+]CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2[C@@H](CCC2=O)CC[NH2+]CC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O/c1-16-2-4-18(5-3-16)15-23-19(6-7-20(23)24)10-13-22-14-17-8-11-21-12-9-17/h2-5,8-9,11-12,19,22H,6-7,10,13-15H2,1H3/p+1/t19-/m0/s1