(3,5-dimethoxy-4-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3,5-dimethoxy-4-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3,5-dimethoxy-4-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3,5-dimethoxy-4-methylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3,5-dimethoxy-4-methylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3,5-dimethoxy-4-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)N2CCC[NH+](CC2)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)N2CCC[NH+](CC2)C)OC

InChI

InChI=1S/C16H24N2O3/c1-12-14(20-3)10-13(11-15(12)21-4)16(19)18-7-5-6-17(2)8-9-18/h10-11H,5-9H2,1-4H3/p+1