2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Openeye Name: 2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propylamino]-6-(4-methoxyphenyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propylamino]-6-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile Formula: C22H32N5O2+3 MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C#N)NCCC[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

COC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C#N)NCCC[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C22H29N5O2/c1-29-20-6-3-18(4-7-20)21-8-5-19(17-23)22(25-21)24-9-2-10-26-11-13-27(14-12-26)15-16-28/h3-8,28H,2,9-16H2,1H3,(H,24,25)/p+3