4-(methoxymethyl)-6-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(methoxymethyl)-6-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 4-(methoxymethyl)-6-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-(methoxymethyl)-6-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carbonitrile Formula: C20H26N4O+2 MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)COC)C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)COC)C#N)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O/c1-16-12-18(15-25-2)19(13-21)20(22-16)24-10-8-23(9-11-24)14-17-6-4-3-5-7-17/h3-7,12H,8-11,14-15H2,1-2H3/p+2