N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-6-(3-thienyl)pyridin-1-ium-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-1-piperazin-4-iumyl)-6-(3-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-4-ium-1-yl)-6-thiophen-3-ylpyridin-1-ium-3-carboxamide Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-(3-thienyl)-N-veratryl-pyridin-1-ium-3-carboxamide Formula: C24H30N4O3S+2 MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CSC=C3)C(=O)NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CSC=C3)C(=O)NCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H28N4O3S/c1-27-9-11-28(12-10-27)23-19(5-6-20(26-23)18-8-13-32-16-18)24(29)25-15-17-4-7-21(30-2)22(14-17)31-3/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,25,29)/p+2