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

Systemtic Name: (4-phenylmethoxyphenyl)methyl-[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Openeye Name: (4-benzyloxyphenyl)methyl-[(3R,5S)-1-isopropyl-5-(isopropylcarbamoyl)pyrrolidin-3-yl]ammonium CAS Name: [(3R,5S)-5-[oxo-(propan-2-ylamino)methyl]-1-propan-2-yl-3-pyrrolidinyl]-[(4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: (4-phenylmethoxyphenyl)methyl-[(3R,5S)-1-propan-2-yl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Traditional Name: (4-benzoxybenzyl)-[(3R,5S)-1-isopropyl-5-(isopropylcarbamoyl)pyrrolidin-3-yl]ammonium Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1C(C)C)[NH2+]CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1C(C)C)[NH2+]CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O2/c1-18(2)27-25(29)24-14-22(16-28(24)19(3)4)26-15-20-10-12-23(13-11-20)30-17-21-8-6-5-7-9-21/h5-13,18-19,22,24,26H,14-17H2,1-4H3,(H,27,29)/p+1/t22-,24+/m1/s1