(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-ylphenyl)methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-ylphenyl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-ylphenyl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[2-(1-pyrrolyl)phenyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-ylphenyl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(2-pyrrol-1-ylphenyl)methanone Formula: C20H21N4O+ MolecularWeight: 333.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3N4C=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=CC=C3N4C=CC=C4

InChI

InChI=1S/C20H20N4O/c25-20(17-7-1-2-8-18(17)22-11-5-6-12-22)24-15-13-23(14-16-24)19-9-3-4-10-21-19/h1-12H,13-16H2/p+1