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

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(2,5-dimethylbenzyl)-4-(2-methoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCC(=O)N(CC2)CCOC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC(=O)N(CC2)CCOC

InChI

InChI=1S/C17H26N2O2/c1-14-4-5-15(2)16(12-14)13-18-7-6-17(20)19(9-8-18)10-11-21-3/h4-5,12H,6-11,13H2,1-3H3/p+1