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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]piperidin-1-ium-4-carbonitrile Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)piperidin-1-ium-4-carbonitrile CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-piperidin-1-iumcarbonitrile IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)piperidin-1-ium-4-carbonitrile Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)piperidin-1-ium-4-carbonitrile Formula: C17H26N4+2 MolecularWeight: 286.41514

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1(C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1(C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H24N4/c18-15-17(6-8-19-9-7-17)21-12-10-20(11-13-21)14-16-4-2-1-3-5-16/h1-5,19H,6-14H2/p+2