1,4-diazepan-4-ium-1-yl-(3-methoxy-2-oxidanyl-phenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3-methoxy-2-oxidanyl-phenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxy-3-methoxy-phenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxy-3-methoxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxy-3-methoxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2-hydroxy-3-methoxy-phenyl)methanone Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H18N2O3/c1-18-11-5-2-4-10(12(11)16)13(17)15-8-3-6-14-7-9-15/h2,4-5,14,16H,3,6-9H2,1H3/p+1