N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-(3-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-(3-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=CSC=C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

InChI

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