(3S)-N-(3,5-dimethylphenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,5-dimethylphenyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-(3,5-dimethylphenyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(3,5-dimethylphenyl)amine Formula: C19H25N2+ MolecularWeight: 281.4152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2CC[NH+](C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H24N2/c1-15-10-16(2)12-19(11-15)20-18-8-9-21(14-18)13-17-6-4-3-5-7-17/h3-7,10-12,18,20H,8-9,13-14H2,1-2H3/p+1/t18-/m0/s1