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

Systemtic Name: [6-[methyl(pyridin-2-ylmethyl)amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-[methyl(2-pyridylmethyl)amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-[methyl(2-pyridinylmethyl)amino]-3-pyridin-1-iumyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-[methyl(pyridin-2-ylmethyl)amino]pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-[methyl(2-pyridylmethyl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C22H26N7O+ MolecularWeight: 404.48814

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C2=[NH+]C=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(CC1=CC=CC=N1)C2=[NH+]C=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H25N7O/c1-27(17-19-6-2-3-9-23-19)20-8-7-18(16-26-20)21(30)28-12-5-13-29(15-14-28)22-24-10-4-11-25-22/h2-4,6-11,16H,5,12-15,17H2,1H3/p+1