1-[4-(phenylmethyl)piperazin-4-ium-1-yl]cyclohexane-1-carbonitrile

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]cyclohexane-1-carbonitrile Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)cyclohexanecarbonitrile CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)cyclohexane-1-carbonitrile Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)cyclohexanecarbonitrile Formula: C18H26N3+ MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H25N3/c19-16-18(9-5-2-6-10-18)21-13-11-20(12-14-21)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-15H2/p+1