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

Systemtic Name: 1-methyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]indole-3-carbonitrile Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1-methyl-indole-3-carbonitrile CAS Name: 1-methyl-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-indolecarbonitrile IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1-methylindole-3-carbonitrile Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1-methyl-indole-3-carbonitrile Formula: C22H25N4+ MolecularWeight: 345.4607

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C[NH+]3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C[NH+]3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H24N4/c1-24-21-10-6-5-9-19(21)20(15-23)22(24)17-26-13-11-25(12-14-26)16-18-7-3-2-4-8-18/h2-10H,11-14,16-17H2,1H3/p+1