(2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2/c1-15-6-7-16(2)19(14-15)22-20(25)17(3)23-12-8-18(9-13-23)21(26)24-10-4-5-11-24/h6-7,14,17-18H,4-5,8-13H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1