N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine Openeye Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinamine IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: 3-(3,4-dimethoxyphenyl)propyl-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amine Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N(C)CCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H32N4O4S/c1-24-12-14-26(15-13-24)31(27,28)19-8-10-22(23-17-19)25(2)11-5-6-18-7-9-20(29-3)21(16-18)30-4/h7-10,16-17H,5-6,11-15H2,1-4H3/p+1