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

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[methyl(pyridin-3-ylmethyl)amino]pyridin-1-ium-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[methyl(3-pyridylmethyl)amino]pyridin-1-ium-3-yl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[methyl(3-pyridinylmethyl)amino]-3-pyridin-1-iumyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[methyl(pyridin-3-ylmethyl)amino]pyridin-1-ium-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[methyl(3-pyridylmethyl)amino]pyridin-1-ium-3-yl]methanone Formula: C24H35N5O+2 MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=CC=C1)C2=[NH+]C=C(C=C2)C(=O)N3CCC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CN(CC1=CN=CC=C1)C2=[NH+]C=C(C=C2)C(=O)N3CCC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C24H33N5O/c1-27(19-20-7-5-12-25-17-20)23-11-10-21(18-26-23)24(30)29-14-6-13-28(15-16-29)22-8-3-2-4-9-22/h5,7,10-12,17-18,22H,2-4,6,8-9,13-16,19H2,1H3/p+2