N-(1-cyclopropylpiperidin-1-ium-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-1-tetralin-6-ylsulfonyl-piperidine-4-carboxamide CAS Name: N-(1-cyclopropyl-4-piperidin-1-iumyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(1-cyclopropylpiperidin-1-ium-4-yl)-1-tetralin-6-ylsulfonyl-isonipecotamide Formula: C24H36N3O3S+ MolecularWeight: 446.62594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CC[NH+](CC4)C5CC5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CC[NH+](CC4)C5CC5

InChI

InChI=1S/C24H35N3O3S/c28-24(25-21-11-13-26(14-12-21)22-6-7-22)19-9-15-27(16-10-19)31(29,30)23-8-5-18-3-1-2-4-20(18)17-23/h5,8,17,19,21-22H,1-4,6-7,9-16H2,(H,25,28)/p+1