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

Systemtic Name: (4-propan-2-ylphenyl)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]-[(4-isopropylphenyl)methyl]ammonium CAS Name: [(3R,5S)-5-[oxo-(propan-2-ylamino)methyl]-1-propan-2-yl-3-pyrrolidinyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: (4-propan-2-ylphenyl)methyl-[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Traditional Name: (4-isopropylbenzyl)-[(3R,5S)-1-isopropyl-5-(isopropylcarbamoyl)pyrrolidin-3-yl]ammonium Formula: C21H36N3O+ MolecularWeight: 346.53004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O/c1-14(2)18-9-7-17(8-10-18)12-22-19-11-20(21(25)23-15(3)4)24(13-19)16(5)6/h7-10,14-16,19-20,22H,11-13H2,1-6H3,(H,23,25)/p+1/t19-,20+/m1/s1