N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17-8-2-3-12-22(17)13-7-11-21-20(24)18-9-6-10-19(16-18)27(25,26)23-14-4-5-15-23/h6,9-10,16-17H,2-5,7-8,11-15H2,1H3,(H,21,24)/p+1/t17-/m0/s1