N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-tetralin-6-ylsulfonyl-piperidine-4-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1-tetralin-6-ylsulfonyl-isonipecotamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H34N4O4S/c31-26(28-19-20-5-8-25(27-18-20)29-13-15-34-16-14-29)22-9-11-30(12-10-22)35(32,33)24-7-6-21-3-1-2-4-23(21)17-24/h5-8,17-18,22H,1-4,9-16,19H2,(H,28,31)/p+1