N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-(2-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-4-(thiophen-2-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-(2-thenyl)piperazin-4-ium-1-carboxamide Formula: C20H29N5O2S+2 MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

InChI

InChI=1S/C20H27N5O2S/c26-20(25-7-5-23(6-8-25)16-18-2-1-13-28-18)22-15-17-3-4-21-19(14-17)24-9-11-27-12-10-24/h1-4,13-14H,5-12,15-16H2,(H,22,26)/p+2