(4-methoxy-2,3-dimethyl-phenyl)methyl-[(3S,5S)-5-(2-methoxyethylcarbamoyl)-1-propan-2-yl-pyrrolidin-3-yl]azanium

Systemtic Name: (4-methoxy-2,3-dimethyl-phenyl)methyl-[(3S,5S)-5-(2-methoxyethylcarbamoyl)-1-propan-2-yl-pyrrolidin-3-yl]azanium Openeye Name: [(3S,5S)-1-isopropyl-5-(2-methoxyethylcarbamoyl)pyrrolidin-3-yl]-[(4-methoxy-2,3-dimethyl-phenyl)methyl]ammonium CAS Name: (4-methoxy-2,3-dimethylphenyl)methyl-[(3S,5S)-5-[(2-methoxyethylamino)-oxomethyl]-1-propan-2-yl-3-pyrrolidinyl]ammonium IUPAC Name: (4-methoxy-2,3-dimethylphenyl)methyl-[(3S,5S)-5-(2-methoxyethylcarbamoyl)-1-propan-2-ylpyrrolidin-3-yl]azanium Traditional Name: [(3S,5S)-1-isopropyl-5-(2-methoxyethylcarbamoyl)pyrrolidin-3-yl]-(4-methoxy-2,3-dimethyl-benzyl)ammonium Formula: C21H36N3O3+ MolecularWeight: 378.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH2+]C2CC(N(C2)C(C)C)C(=O)NCCOC

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH2+][C@H]2C[C@H](N(C2)C(C)C)C(=O)NCCOC

InChI

InChI=1S/C21H35N3O3/c1-14(2)24-13-18(11-19(24)21(25)22-9-10-26-5)23-12-17-7-8-20(27-6)16(4)15(17)3/h7-8,14,18-19,23H,9-13H2,1-6H3,(H,22,25)/p+1/t18-,19-/m0/s1