(4-ethylpiperazin-4-ium-1-yl)-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(4-pyrrol-1-ylphenyl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(4-pyrrol-1-ylphenyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(4-pyrrol-1-ylphenyl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(4-pyrrol-1-ylphenyl)methanone Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C17H21N3O/c1-2-18-11-13-20(14-12-18)17(21)15-5-7-16(8-6-15)19-9-3-4-10-19/h3-10H,2,11-14H2,1H3/p+1