[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]-phenylmethanone IUPAC Name: [4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O3/c29-25(21-7-3-1-4-8-21)22-11-13-23(14-12-22)26(30)28-17-15-27(16-18-28)19-20-31-24-9-5-2-6-10-24/h1-14H,15-20H2/p+1