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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-18-10-3-4-11(12(16)9-10)13(17)15-7-2-5-14-6-8-15/h3-4,9,14,16H,2,5-8H2,1H3/p+1