N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-pyrrol-1-yl-benzamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)C

InChI

InChI=1S/C24H28N4O/c1-3-26-14-16-28(17-15-26)22-10-11-23(19(2)18-22)25-24(29)20-6-8-21(9-7-20)27-12-4-5-13-27/h4-13,18H,3,14-17H2,1-2H3,(H,25,29)/p+1