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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3-methoxy-4-methyl-phenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3-methoxy-4-methyl-phenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3-methoxy-4-methylphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3-methoxy-4-methylphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3-methoxy-4-methyl-phenyl)methanone Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)OC

InChI

InChI=1S/C14H20N2O2/c1-11-4-5-12(10-13(11)18-2)14(17)16-8-3-6-15-7-9-16/h4-5,10,15H,3,6-9H2,1-2H3/p+1