(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H29N3O3S/c1-15-6-5-11-21(14-15)16(2)19(23)20-17-7-9-18(10-8-17)26(24,25)22-12-3-4-13-22/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,20,23)/p+1/t15-,16-/m0/s1