1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-(4-methoxy-2,3-dimethyl-benzyl)-4-(2-phenoxyethyl)-1,4-diazepan-1-ium-5-one Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-18-19(2)22(27-3)10-9-20(18)17-24-12-11-23(26)25(14-13-24)15-16-28-21-7-5-4-6-8-21/h4-10H,11-17H2,1-3H3/p+1