4-(2-methoxyethyl)-1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(2-methoxyethyl)-1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(2-methoxyethyl)-1-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-methoxyethyl)-1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-methoxyethyl)-1-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-methoxyethyl)-1-(2-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(=O)N(CC2)CCOC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(=O)N(CC2)CCOC

InChI

InChI=1S/C16H24N2O2/c1-14-5-3-4-6-15(14)13-17-8-7-16(19)18(10-9-17)11-12-20-2/h3-6H,7-13H2,1-2H3/p+1