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

Systemtic Name: 1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carbonitrile Openeye Name: 1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carbonitrile CAS Name: 1-methyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-indolecarbonitrile IUPAC Name: 1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carbonitrile Traditional Name: 1-methyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-3-carbonitrile Formula: C21H23N4+ MolecularWeight: 331.43412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4/c1-23-20-10-6-5-9-18(20)19(15-22)21(23)16-24-11-13-25(14-12-24)17-7-3-2-4-8-17/h2-10H,11-14,16H2,1H3/p+1