[6-[methyl(2-methylprop-2-enyl)amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-[methyl(2-methylprop-2-enyl)amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-[methyl(2-methylallyl)amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-[methyl(2-methylprop-2-enyl)amino]-3-pyridin-1-iumyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-[methyl(2-methylprop-2-enyl)amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-[methyl(2-methylallyl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C20H27N6O+ MolecularWeight: 367.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN(C)C1=[NH+]C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(=C)CN(C)C1=[NH+]C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H26N6O/c1-16(2)15-24(3)18-7-6-17(14-23-18)19(27)25-10-5-11-26(13-12-25)20-21-8-4-9-22-20/h4,6-9,14H,1,5,10-13,15H2,2-3H3/p+1