4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]methyl]benzonitrile Formula: C21H22N3+ MolecularWeight: 316.41948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CCC1C2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21N3/c22-13-16-5-7-17(8-6-16)15-24-11-9-18(10-12-24)20-14-23-21-4-2-1-3-19(20)21/h1-8,14,18,23H,9-12,15H2/p+1