N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(4-methylpiperidino)sulfonyl-benzamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C20H31N3O3S/c1-3-22-12-4-5-18(22)15-21-20(24)17-6-8-19(9-7-17)27(25,26)23-13-10-16(2)11-14-23/h6-9,16,18H,3-5,10-15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1