cycloheptyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium

Systemtic Name: cycloheptyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Openeye Name: cycloheptyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(isopropylcarbamoyl)pyrrolidin-3-yl]ammonium CAS Name: cycloheptyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-[oxo-(propan-2-ylamino)methyl]-3-pyrrolidinyl]ammonium IUPAC Name: cycloheptyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]azanium Traditional Name: cycloheptyl-[(3R,5S)-1-(2,2-diphenylethyl)-5-(isopropylcarbamoyl)pyrrolidin-3-yl]ammonium Formula: C29H42N3O+ MolecularWeight: 448.66328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1CC(C2=CC=CC=C2)C3=CC=CC=C3)[NH2+]C4CCCCCC4

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1CC(C2=CC=CC=C2)C3=CC=CC=C3)[NH2+]C4CCCCCC4

InChI

InChI=1S/C29H41N3O/c1-22(2)30-29(33)28-19-26(31-25-17-11-3-4-12-18-25)20-32(28)21-27(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25-28,31H,3-4,11-12,17-21H2,1-2H3,(H,30,33)/p+1/t26-,28+/m1/s1