1,4-diazepan-4-ium-1-yl-(3-methoxyphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3-methoxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3-methoxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3-methoxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3-methoxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3-methoxyphenyl)methanone Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H18N2O2/c1-17-12-5-2-4-11(10-12)13(16)15-8-3-6-14-7-9-15/h2,4-5,10,14H,3,6-9H2,1H3/p+1