4,6-dimethyl-2-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-(phenylmethyl)piperidin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzyl-1-piperidyl)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-(phenylmethyl)-1-piperidinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(4-benzylpiperidin-1-yl)-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzylpiperidino)-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H23N3/c1-15-12-16(2)22-20(19(15)14-21)23-10-8-18(9-11-23)13-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13H2,1-2H3/p+1