(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Openeye Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone CAS Name: [4-(2-pyrimidinyl)-1,4-diazepan-1-yl]-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: (4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: [4-(2-pyrimidyl)-1,4-diazepan-1-yl]-(6-pyrrolidinopyridin-1-ium-3-yl)methanone Formula: C19H25N6O+ MolecularWeight: 353.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H24N6O/c26-18(16-5-6-17(22-15-16)23-9-1-2-10-23)24-11-4-12-25(14-13-24)19-20-7-3-8-21-19/h3,5-8,15H,1-2,4,9-14H2/p+1