cyclooctyl-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]azanium

Systemtic Name: cyclooctyl-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]azanium Openeye Name: cyclooctyl-[(3R,5S)-5-(ethylcarbamoyl)-1-(4-pyridylmethyl)pyrrolidin-3-yl]ammonium CAS Name: cyclooctyl-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyridin-4-ylmethyl)-3-pyrrolidinyl]ammonium IUPAC Name: cyclooctyl-[(3R,5S)-5-(ethylcarbamoyl)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]azanium Traditional Name: cyclooctyl-[(3R,5S)-5-(ethylcarbamoyl)-1-(4-pyridylmethyl)pyrrolidin-3-yl]ammonium Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(CN1CC2=CC=NC=C2)[NH2+]C3CCCCCCC3

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@H](CN1CC2=CC=NC=C2)[NH2+]C3CCCCCCC3

InChI

InChI=1S/C21H34N4O/c1-2-23-21(26)20-14-19(24-18-8-6-4-3-5-7-9-18)16-25(20)15-17-10-12-22-13-11-17/h10-13,18-20,24H,2-9,14-16H2,1H3,(H,23,26)/p+1/t19-,20+/m1/s1