[2-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]-phenyl-methanone

Systemtic Name: [2-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]phenyl]-phenyl-methanone Openeye Name: [2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [2-(4-p-anisyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]-phenyl-methanone Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c1-32-23-14-12-21(13-15-23)20-28-16-7-17-29(19-18-28)27(31)25-11-6-5-10-24(25)26(30)22-8-3-2-4-9-22/h2-6,8-15H,7,16-20H2,1H3/p+1