1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]ethanone Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H26N4O3/c26-20(24-12-14-28-15-13-24)17-22-8-10-25(11-9-22)21(27)18-4-3-5-19(16-18)23-6-1-2-7-23/h1-7,16H,8-15,17H2/p+1