(4-methyl-1,4-diazepan-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(2,4,5-trimethoxyphenyl)methanone Traditional Name: asaryl-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C16H24N2O4/c1-17-6-5-7-18(9-8-17)16(19)12-10-14(21-3)15(22-4)11-13(12)20-2/h10-11H,5-9H2,1-4H3/p+1