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

Systemtic Name: 4-(2-methoxyethyl)-1-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(2-methoxyethyl)-1-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(2-methoxyethyl)-1-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(2-methoxyethyl)-1-[(2,4,5-trimethylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-methoxyethyl)-1-(2,4,5-trimethylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-14-11-16(3)17(12-15(14)2)13-19-6-5-18(21)20(8-7-19)9-10-22-4/h11-12H,5-10,13H2,1-4H3/p+1