2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-methyl-indole-3-carbonitrile

Systemtic Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-methyl-indole-3-carbonitrile Openeye Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-methyl-indole-3-carbonitrile CAS Name: 2-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-methyl-3-indolecarbonitrile IUPAC Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-methylindole-3-carbonitrile Traditional Name: 2-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-1-methyl-indole-3-carbonitrile Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C[NH+]3CCN(CC3)CCO)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C[NH+]3CCN(CC3)CCO)C#N

InChI

InChI=1S/C17H22N4O/c1-19-16-5-3-2-4-14(16)15(12-18)17(19)13-21-8-6-20(7-9-21)10-11-22/h2-5,22H,6-11,13H2,1H3/p+1