7-methoxy-2-(4-prop-2-enylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile

Systemtic Name: 7-methoxy-2-(4-prop-2-enylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Openeye Name: 2-(4-allylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-carbonitrile CAS Name: 7-methoxy-2-(4-prop-2-enyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarbonitrile IUPAC Name: 7-methoxy-2-(4-prop-2-enylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-allylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-carbonitrile Formula: C18H22N4O+2 MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CC[NH+](CC3)CC=C)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CC[NH+](CC3)CC=C)C#N

InChI

InChI=1S/C18H20N4O/c1-3-6-21-7-9-22(10-8-21)18-15(13-19)11-14-4-5-16(23-2)12-17(14)20-18/h3-5,11-12H,1,6-10H2,2H3/p+2