(3S)-N-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-butanamide

Systemtic Name: (3S)-N-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-butanamide Openeye Name: (3S)-N-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-butanamide CAS Name: (3S)-N-(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)butanamide IUPAC Name: (3S)-N-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylbutanamide Traditional Name: (3S)-N-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-butyramide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C)[NH+]2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[C@H](C)[NH+]2CCCC2

InChI

InChI=1S/C15H22N2O/c1-12-5-7-14(8-6-12)16-15(18)11-13(2)17-9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,16,18)/p+1/t13-/m0/s1