(4-methyl-1,4-diazepan-4-ium-1-yl)-pyridin-3-yl-methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-pyridin-3-yl-methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-pyridyl)methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-pyridinyl)methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-pyridin-3-ylmethanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-pyridyl)methanone Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O/c1-14-6-3-7-15(9-8-14)12(16)11-4-2-5-13-10-11/h2,4-5,10H,3,6-9H2,1H3/p+1