(4-methyl-1,4-diazepan-4-ium-1-yl)-pyridin-4-yl-methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-pyridin-4-yl-methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(4-pyridyl)methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-pyridin-4-ylmethanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-pyridin-4-ylmethanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(4-pyridyl)methanone Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC=NC=C2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C12H17N3O/c1-14-7-2-8-15(10-9-14)12(16)11-3-5-13-6-4-11/h3-6H,2,7-10H2,1H3/p+1