4-[[4-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H28N4O/c25-18-20-6-8-21(9-7-20)19-26-12-10-22(11-13-26)24(29)28-16-14-27(15-17-28)23-4-2-1-3-5-23/h1-9,22H,10-17,19H2/p+1