(2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C19H28ClN3O3S/c1-15(22-10-4-2-5-11-22)19(24)21-18-14-16(8-9-17(18)20)27(25,26)23-12-6-3-7-13-23/h8-9,14-15H,2-7,10-13H2,1H3,(H,21,24)/p+1/t15-/m1/s1