(2,5-dimethylphenyl)methyl-[(3S,5S)-5-(2-methoxyethylcarbamoyl)-1-propan-2-yl-pyrrolidin-3-yl]azanium

Systemtic Name: (2,5-dimethylphenyl)methyl-[(3S,5S)-5-(2-methoxyethylcarbamoyl)-1-propan-2-yl-pyrrolidin-3-yl]azanium Openeye Name: (2,5-dimethylphenyl)methyl-[(3S,5S)-1-isopropyl-5-(2-methoxyethylcarbamoyl)pyrrolidin-3-yl]ammonium CAS Name: (2,5-dimethylphenyl)methyl-[(3S,5S)-5-[(2-methoxyethylamino)-oxomethyl]-1-propan-2-yl-3-pyrrolidinyl]ammonium IUPAC Name: (2,5-dimethylphenyl)methyl-[(3S,5S)-5-(2-methoxyethylcarbamoyl)-1-propan-2-ylpyrrolidin-3-yl]azanium Traditional Name: (2,5-dimethylbenzyl)-[(3S,5S)-1-isopropyl-5-(2-methoxyethylcarbamoyl)pyrrolidin-3-yl]ammonium Formula: C20H34N3O2+ MolecularWeight: 348.50286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2/c1-14(2)23-13-18(11-19(23)20(24)21-8-9-25-5)22-12-17-10-15(3)6-7-16(17)4/h6-7,10,14,18-19,22H,8-9,11-13H2,1-5H3,(H,21,24)/p+1/t18-,19-/m0/s1