2-[4-(2,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-7-methyl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(2,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-7-methyl-quinolin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-7-methyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-[4-[(2,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-7-methyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-7-methylquinolin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2,4-dimethoxybenzoyl)piperazino]-7-methyl-quinolin-1-ium-3-carbonitrile Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)OC)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)OC)OC)C#N

InChI

InChI=1S/C24H24N4O3/c1-16-4-5-17-13-18(15-25)23(26-21(17)12-16)27-8-10-28(11-9-27)24(29)20-7-6-19(30-2)14-22(20)31-3/h4-7,12-14H,8-11H2,1-3H3/p+1