[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone CAS Name: [4-(2,5-dimethyl-1-pyrrolyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O/c1-19-8-9-20(2)27(19)23-12-10-22(11-13-23)24(28)26-16-14-25(15-17-26)18-21-6-4-3-5-7-21/h3-13H,14-18H2,1-2H3/p+1