2-chloranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-5-pyrrolidinosulfonyl-benzamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3O3S/c1-16-7-2-3-11-23(16)12-6-10-22-20(25)18-15-17(8-9-19(18)21)28(26,27)24-13-4-5-14-24/h8-9,15-16H,2-7,10-14H2,1H3,(H,22,25)/p+1/t16-/m0/s1