cycloheptyl-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]azanium

Systemtic Name: cycloheptyl-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]azanium Openeye Name: cycloheptyl-[(3R,5S)-5-(isopropylcarbamoyl)-1-(4-pyridylmethyl)pyrrolidin-3-yl]ammonium CAS Name: cycloheptyl-[(3R,5S)-5-[oxo-(propan-2-ylamino)methyl]-1-(pyridin-4-ylmethyl)-3-pyrrolidinyl]ammonium IUPAC Name: cycloheptyl-[(3R,5S)-5-(propan-2-ylcarbamoyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]azanium Traditional Name: cycloheptyl-[(3R,5S)-5-(isopropylcarbamoyl)-1-(4-pyridylmethyl)pyrrolidin-3-yl]ammonium Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1CC2=CC=NC=C2)[NH2+]C3CCCCCC3

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1CC2=CC=NC=C2)[NH2+]C3CCCCCC3

InChI

InChI=1S/C21H34N4O/c1-16(2)23-21(26)20-13-19(24-18-7-5-3-4-6-8-18)15-25(20)14-17-9-11-22-12-10-17/h9-12,16,18-20,24H,3-8,13-15H2,1-2H3,(H,23,26)/p+1/t19-,20+/m1/s1