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

Systemtic Name: (2-azanyl-4,5-dimethoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-amino-4,5-dimethoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-amino-4,5-dimethoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-amino-4,5-dimethoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-amino-4,5-dimethoxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2N)OC)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2N)OC)OC

InChI

InChI=1S/C15H23N3O3/c1-17-5-4-6-18(8-7-17)15(19)11-9-13(20-2)14(21-3)10-12(11)16/h9-10H,4-8,16H2,1-3H3/p+1