2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-7,8-dimethyl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-7,8-dimethyl-quinolin-1-ium-3-carbonitrile Openeye Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-7,8-dimethyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-7,8-dimethyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-7,8-dimethylquinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-m-anisoylpiperazino)-7,8-dimethyl-quinolin-1-ium-3-carbonitrile Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)OC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)OC)C#N)C

InChI

InChI=1S/C24H24N4O2/c1-16-7-8-18-13-20(15-25)23(26-22(18)17(16)2)27-9-11-28(12-10-27)24(29)19-5-4-6-21(14-19)30-3/h4-8,13-14H,9-12H2,1-3H3/p+1