tert-butyl N-[(3R,4S)-4-(4-methylphenyl)pyrrolidin-1-ium-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R,4S)-4-(4-methylphenyl)pyrrolidin-1-ium-3-yl]carbamate Openeye Name: tert-butyl N-[(3R,4S)-4-(p-tolyl)pyrrolidin-1-ium-3-yl]carbamate CAS Name: N-[(3R,4S)-4-(4-methylphenyl)-3-pyrrolidin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R,4S)-4-(4-methylphenyl)pyrrolidin-1-ium-3-yl]carbamate Traditional Name: N-[(3R,4S)-4-(p-tolyl)pyrrolidin-1-ium-3-yl]carbamic acid tert-butyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C[NH2+]CC2NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H24N2O2/c1-11-5-7-12(8-6-11)13-9-17-10-14(13)18-15(19)20-16(2,3)4/h5-8,13-14,17H,9-10H2,1-4H3,(H,18,19)/p+1/t13-,14+/m1/s1