(2S)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H30ClN3O3S/c1-15-7-6-10-23(14-15)16(2)20(25)22-19-13-17(8-9-18(19)21)28(26,27)24-11-4-3-5-12-24/h8-9,13,15-16H,3-7,10-12,14H2,1-2H3,(H,22,25)/p+1/t15-,16-/m0/s1