N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-tosyl-isonipecotamide Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(C3=CC(=CC=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC[C@H](C3=CC(=CC=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C26H35N3O4S/c1-20-8-10-24(11-9-20)34(31,32)29-16-12-21(13-17-29)26(30)27-19-25(28-14-3-4-15-28)22-6-5-7-23(18-22)33-2/h5-11,18,21,25H,3-4,12-17,19H2,1-2H3,(H,27,30)/p+1/t25-/m1/s1