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

Systemtic Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-carbonitrile Openeye Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-carbonitrile CAS Name: 2-(4-cyclopentyl-1-piperazin-4-iumyl)-7-methoxy-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)-7-methoxyquinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-cyclopentylpiperazin-4-ium-1-yl)-7-methoxy-quinolin-1-ium-3-carbonitrile Formula: C20H26N4O+2 MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CC[NH+](CC3)C4CCCC4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CC[NH+](CC3)C4CCCC4)C#N

InChI

InChI=1S/C20H24N4O/c1-25-18-7-6-15-12-16(14-21)20(22-19(15)13-18)24-10-8-23(9-11-24)17-4-2-3-5-17/h6-7,12-13,17H,2-5,8-11H2,1H3/p+2