N-[(3-cyano-1-methyl-indol-2-yl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenyl-ethanamide

Systemtic Name: N-[(3-cyano-1-methyl-indol-2-yl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenyl-ethanamide Openeye Name: N-[(3-cyano-1-methyl-indol-2-yl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenyl-acetamide CAS Name: N-[(3-cyano-1-methyl-2-indolyl)methyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)-N-phenylacetamide IUPAC Name: N-[(3-cyano-1-methylindol-2-yl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide Traditional Name: N-[(3-cyano-1-methyl-indol-2-yl)methyl]-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenyl-acetamide Formula: C24H29N5O+2 MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)N(CC2=C(C3=CC=CC=C3N2C)C#N)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)N(CC2=C(C3=CC=CC=C3N2C)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O/c1-26-12-14-28(15-13-26)18-24(30)29(19-8-4-3-5-9-19)17-23-21(16-25)20-10-6-7-11-22(20)27(23)2/h3-11H,12-15,17-18H2,1-2H3/p+2