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

Systemtic Name: 1-(phenylmethyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbonitrile Openeye Name: 1-benzyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbonitrile CAS Name: 1-(phenylmethyl)-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-benzyl-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carbonitrile Traditional Name: 1-benzyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carbonitrile Formula: C18H27N3+2 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC3=CC=CC=C3)C#N

InChI

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