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

Systemtic Name: 1-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]piperidin-1-ium-4-carbonitrile Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-piperidin-1-ium-4-carbonitrile CAS Name: 1-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-piperidin-1-iumcarbonitrile IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methylpiperidin-1-ium-4-carbonitrile Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-piperidin-1-ium-4-carbonitrile Formula: C18H28N4+2 MolecularWeight: 300.44172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)(C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N4/c1-20-9-7-18(16-19,8-10-20)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-6H,7-15H2,1H3/p+2