(2S)-N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(p-tolyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(p-tolyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O2/c1-15-5-7-18(8-6-15)21-19(24)16(2)22-13-9-17(10-14-22)20(25)23-11-3-4-12-23/h5-8,16-17H,3-4,9-14H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1