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

Systemtic Name: 1-(phenylmethyl)-4-piperazin-4-ium-1-yl-piperidin-1-ium-4-carbonitrile Openeye Name: 1-benzyl-4-piperazin-4-ium-1-yl-piperidin-1-ium-4-carbonitrile CAS Name: 1-(phenylmethyl)-4-(1-piperazin-4-iumyl)-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-benzyl-4-piperazin-4-ium-1-ylpiperidin-1-ium-4-carbonitrile Traditional Name: 1-benzyl-4-piperazin-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[NH+](CCC1(C#N)N2CC[NH2+]CC2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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