1-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(2,3,4-trimethoxybenzyl)-1,4-diazepan-1-ium Formula: C15H25N2O3+ MolecularWeight: 281.3706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCCNCC2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCCNCC2)OC)OC

InChI

InChI=1S/C15H24N2O3/c1-18-13-6-5-12(14(19-2)15(13)20-3)11-17-9-4-7-16-8-10-17/h5-6,16H,4,7-11H2,1-3H3/p+1