1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)isonipecotamide Formula: C20H37N4O5S+ MolecularWeight: 445.59658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCC4(CC3)OCCO4

InChI

InChI=1S/C20H36N4O5S/c25-19(21-8-3-11-22-9-1-2-10-22)18-4-12-23(13-5-18)30(26,27)24-14-6-20(7-15-24)28-16-17-29-20/h18H,1-17H2,(H,21,25)/p+1