methyl 4-[[[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-1-ium-3-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-1-ium-3-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(3R,5S)-1-isopropyl-5-(isopropylcarbamoyl)pyrrolidin-1-ium-3-yl]amino]methyl]benzoate CAS Name: 4-[[[(3R,5S)-5-[oxo-(propan-2-ylamino)methyl]-1-propan-2-yl-3-pyrrolidin-1-iumyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-1-ium-3-yl]amino]methyl]benzoate Traditional Name: 4-[[[(3R,5S)-1-isopropyl-5-(isopropylcarbamoyl)pyrrolidin-1-ium-3-yl]amino]methyl]benzoic acid methyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(C[NH+]1C(C)C)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](C[NH+]1C(C)C)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H31N3O3/c1-13(2)22-19(24)18-10-17(12-23(18)14(3)4)21-11-15-6-8-16(9-7-15)20(25)26-5/h6-9,13-14,17-18,21H,10-12H2,1-5H3,(H,22,24)/p+1/t17-,18+/m1/s1