2-[4-(5-methoxy-2-methyl-1-phenyl-indol-3-yl)carbonylpiperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(5-methoxy-2-methyl-1-phenyl-indol-3-yl)carbonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(5-methoxy-2-methyl-1-phenyl-indole-3-carbonyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[(5-methoxy-2-methyl-1-phenyl-3-indolyl)-oxomethyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(5-methoxy-2-methyl-1-phenylindole-3-carbonyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(5-methoxy-2-methyl-1-phenyl-indole-3-carbonyl)piperazin-1-ium-1-yl]acetonitrile Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC)C(=O)N4CC[NH+](CC4)CC#N

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC)C(=O)N4CC[NH+](CC4)CC#N

InChI

InChI=1S/C23H24N4O2/c1-17-22(23(28)26-14-12-25(11-10-24)13-15-26)20-16-19(29-2)8-9-21(20)27(17)18-6-4-3-5-7-18/h3-9,16H,11-15H2,1-2H3/p+1