(1,5-dimethyl-2-phenyl-indol-3-yl)-(4-oxidanidyl-4-pyridin-3-yl-piperazin-4-ium-1-yl)methanone

Systemtic Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-(4-oxidanidyl-4-pyridin-3-yl-piperazin-4-ium-1-yl)methanone Openeye Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-oxido-4-(3-pyridyl)piperazin-4-ium-1-yl]methanone CAS Name: (1,5-dimethyl-2-phenyl-3-indolyl)-[4-oxido-4-(3-pyridinyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1,5-dimethyl-2-phenylindol-3-yl)-(4-oxido-4-pyridin-3-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-oxido-4-(3-pyridyl)piperazin-4-ium-1-yl]methanone Formula: C26H26N4O2 MolecularWeight: 426.51024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CC[N+](CC3)(C4=CN=CC=C4)[O-])C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CC[N+](CC3)(C4=CN=CC=C4)[O-])C5=CC=CC=C5)C

InChI

InChI=1S/C26H26N4O2/c1-19-10-11-23-22(17-19)24(25(28(23)2)20-7-4-3-5-8-20)26(31)29-13-15-30(32,16-14-29)21-9-6-12-27-18-21/h3-12,17-18H,13-16H2,1-2H3