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

Systemtic Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-phenyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-phenyl-4-(2,3,4-trimethoxybenzyl)-1,4-diazepan-4-ium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCCN(CC2)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H28N2O3/c1-24-19-11-10-17(20(25-2)21(19)26-3)16-22-12-7-13-23(15-14-22)18-8-5-4-6-9-18/h4-6,8-11H,7,12-16H2,1-3H3/p+1