N-[(3-cyano-1-methyl-indol-2-yl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-[(3-cyano-1-methyl-indol-2-yl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: N-[(3-cyano-1-methyl-indol-2-yl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: N-[(3-cyano-1-methyl-2-indolyl)methyl]-2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: N-[(3-cyano-1-methylindol-2-yl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: N-[(3-cyano-1-methyl-indol-2-yl)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CN(C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)CCO)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CN(C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)CCO)C#N

InChI

InChI=1S/C25H29N5O2/c1-27-23-10-6-5-9-21(23)22(17-26)24(27)18-30(20-7-3-2-4-8-20)25(32)19-29-13-11-28(12-14-29)15-16-31/h2-10,31H,11-16,18-19H2,1H3/p+1