(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C20H29BrN3O2+ MolecularWeight: 423.36716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N3CCCC3)Br

InChI

InChI=1S/C20H28BrN3O2/c1-14-5-6-18(17(21)13-14)22-19(25)15(2)23-11-7-16(8-12-23)20(26)24-9-3-4-10-24/h5-6,13,15-16H,3-4,7-12H2,1-2H3,(H,22,25)/p+1/t15-/m0/s1