1-[[4-(diethylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[4-(diethylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[4-(diethylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[4-(diethylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[4-(diethylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[4-(diethylamino)benzyl]-4-p-anisyl-1,4-diazepan-1-ium-5-one Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H33N3O2/c1-4-26(5-2)22-10-6-20(7-11-22)18-25-15-14-24(28)27(17-16-25)19-21-8-12-23(29-3)13-9-21/h6-13H,4-5,14-19H2,1-3H3/p+1