[4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-(2,5-dimethyl-1-pyrrolyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C22H24N4O/c1-17-6-7-18(2)26(17)20-10-8-19(9-11-20)22(27)25-15-13-24(14-16-25)21-5-3-4-12-23-21/h3-12H,13-16H2,1-2H3/p+1