cycloheptyl-[(3R,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]azanium

Systemtic Name: cycloheptyl-[(3R,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]azanium Openeye Name: cycloheptyl-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-pyridylmethyl)pyrrolidin-3-yl]ammonium CAS Name: cycloheptyl-[(3R,5S)-5-[diethylamino(oxo)methyl]-1-(3-pyridinylmethyl)-3-pyrrolidinyl]ammonium IUPAC Name: cycloheptyl-[(3R,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]azanium Traditional Name: cycloheptyl-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-pyridylmethyl)pyrrolidin-3-yl]ammonium Formula: C22H37N4O+ MolecularWeight: 373.55538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O/c1-3-25(4-2)22(27)21-14-20(24-19-11-7-5-6-8-12-19)17-26(21)16-18-10-9-13-23-15-18/h9-10,13,15,19-21,24H,3-8,11-12,14,16-17H2,1-2H3/p+1/t20-,21+/m1/s1