(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propan-2-ylamino)pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propan-2-ylamino)pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(isopropylamino)-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propan-2-ylamino)-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(propan-2-ylamino)pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(isopropylamino)-3-pyridyl]methanone Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=C1)C(=O)N2CCC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CC(C)NC1=NC=C(C=C1)C(=O)N2CCC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C20H32N4O/c1-16(2)22-19-10-9-17(15-21-19)20(25)24-12-6-11-23(13-14-24)18-7-4-3-5-8-18/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,21,22)/p+1