[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(4-pyrrol-1-ylphenyl)methanone Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C23H25N3O2/c27-23(20-8-10-21(11-9-20)25-12-4-5-13-25)26-16-14-24(15-17-26)18-19-28-22-6-2-1-3-7-22/h1-13H,14-19H2/p+1