(3-methylphenyl)methyl-[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium

Systemtic Name: (3-methylphenyl)methyl-[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Openeye Name: [(3R,5S)-1-isopropyl-5-(isopropylcarbamoyl)pyrrolidin-3-yl]-(m-tolylmethyl)ammonium CAS Name: (3-methylphenyl)methyl-[(3R,5S)-5-[oxo-(propan-2-ylamino)methyl]-1-propan-2-yl-3-pyrrolidinyl]ammonium IUPAC Name: (3-methylphenyl)methyl-[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Traditional Name: [(3R,5S)-1-isopropyl-5-(isopropylcarbamoyl)pyrrolidin-3-yl]-(3-methylbenzyl)ammonium Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]C2CC(N(C2)C(C)C)C(=O)NC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+][C@@H]2C[C@H](N(C2)C(C)C)C(=O)NC(C)C

InChI

InChI=1S/C19H31N3O/c1-13(2)21-19(23)18-10-17(12-22(18)14(3)4)20-11-16-8-6-7-15(5)9-16/h6-9,13-14,17-18,20H,10-12H2,1-5H3,(H,21,23)/p+1/t17-,18+/m1/s1