[2-(dimethylamino)-6-thiophen-2-yl-pyridin-3-yl]-[4-(4-ethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: [2-(dimethylamino)-6-thiophen-2-yl-pyridin-3-yl]-[4-(4-ethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Openeye Name: [2-(dimethylamino)-6-(2-thienyl)-3-pyridyl]-[4-(4-ethylpiperazin-4-ium-1-yl)-1-piperidyl]methanone CAS Name: [2-(dimethylamino)-6-thiophen-2-yl-3-pyridinyl]-[4-(4-ethyl-1-piperazin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: [2-(dimethylamino)-6-thiophen-2-ylpyridin-3-yl]-[4-(4-ethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Traditional Name: [2-(dimethylamino)-6-(2-thienyl)-3-pyridyl]-[4-(4-ethylpiperazin-4-ium-1-yl)piperidino]methanone Formula: C23H34N5OS+ MolecularWeight: 428.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CC=CS4)N(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2CCN(CC2)C(=O)C3=C(N=C(C=C3)C4=CC=CS4)N(C)C

InChI

InChI=1S/C23H33N5OS/c1-4-26-13-15-27(16-14-26)18-9-11-28(12-10-18)23(29)19-7-8-20(21-6-5-17-30-21)24-22(19)25(2)3/h5-8,17-18H,4,9-16H2,1-3H3/p+1