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

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopropylmethylamino)pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopropylmethylamino)-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopropylmethylamino)-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopropylmethylamino)pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-(cyclopropylmethylamino)-3-pyridyl]methanone Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)NCC4CC4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=CN=C(C=C3)NCC4CC4

InChI

InChI=1S/C21H32N4O/c26-21(18-9-10-20(23-16-18)22-15-17-7-8-17)25-12-4-11-24(13-14-25)19-5-2-1-3-6-19/h9-10,16-17,19H,1-8,11-15H2,(H,22,23)/p+1