3-(3,4-dimethoxyphenyl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazino]propan-1-one Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N3O3/c1-18-16-24(26-21-7-5-4-6-20(18)21)27-12-14-28(15-13-27)25(29)11-9-19-8-10-22(30-2)23(17-19)31-3/h4-8,10,16-17H,9,11-15H2,1-3H3/p+1