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

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-phenyl-methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-phenyl-methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-phenylmethanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-phenylmethanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-phenyl-methanone Formula: C13H19N2O+ MolecularWeight: 219.30276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O/c1-14-8-5-9-15(11-10-14)13(16)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3/p+1