(4-methyl-3-pyrrol-1-yl-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-methyl-3-pyrrol-1-yl-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methyl-3-pyrrol-1-yl-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [4-methyl-3-(1-pyrrolyl)phenyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-methyl-3-pyrrol-1-ylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methyl-3-pyrrol-1-yl-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H27N3O/c1-20-9-10-22(19-23(20)26-12-5-6-13-26)24(28)27-17-15-25(16-18-27)14-11-21-7-3-2-4-8-21/h2-10,12-13,19H,11,14-18H2,1H3/p+1