1-(4-ethoxyphenyl)sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-p-phenetylsulfonyl-isonipecotamide Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C26H35N3O4S/c1-2-33-23-10-12-24(13-11-23)34(31,32)29-18-14-22(15-19-29)26(30)27-20-25(28-16-6-7-17-28)21-8-4-3-5-9-21/h3-5,8-13,22,25H,2,6-7,14-20H2,1H3,(H,27,30)/p+1/t25-/m0/s1