2-[(2S)-1-butyl-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(3-methylphenyl)methyl]azanium

Systemtic Name: 2-[(2S)-1-butyl-5-oxidanylidene-pyrrolidin-2-yl]ethyl-[(3-methylphenyl)methyl]azanium Openeye Name: 2-[(2S)-1-butyl-5-oxo-pyrrolidin-2-yl]ethyl-(m-tolylmethyl)ammonium CAS Name: 2-[(2S)-1-butyl-5-oxo-2-pyrrolidinyl]ethyl-[(3-methylphenyl)methyl]ammonium IUPAC Name: 2-[(2S)-1-butyl-5-oxopyrrolidin-2-yl]ethyl-[(3-methylphenyl)methyl]azanium Traditional Name: 2-[(2S)-1-butyl-5-keto-pyrrolidin-2-yl]ethyl-(3-methylbenzyl)ammonium Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(CCC1=O)CC[NH2+]CC2=CC=CC(=C2)C

Isomeric SMILES

CCCCN1[C@@H](CCC1=O)CC[NH2+]CC2=CC=CC(=C2)C

InChI

InChI=1S/C18H28N2O/c1-3-4-12-20-17(8-9-18(20)21)10-11-19-14-16-7-5-6-15(2)13-16/h5-7,13,17,19H,3-4,8-12,14H2,1-2H3/p+1/t17-/m0/s1