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

Systemtic Name: (4-methoxy-2-oxidanyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-hydroxy-4-methoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-hydroxy-4-methoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-hydroxy-4-methoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-hydroxy-4-methoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-15-6-3-7-16(9-8-15)14(18)12-5-4-11(19-2)10-13(12)17/h4-5,10,17H,3,6-9H2,1-2H3/p+1