(2S)-N-(cyclopropylcarbamoyl)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(cyclopropylcarbamoyl)-2-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(cyclopropylcarbamoyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(cyclopropylamino)-oxomethyl]-2-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(cyclopropylcarbamoyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(cyclopropylcarbamoyl)-2-[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]propionamide Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)C(C)C(=O)NC(=O)NC3CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)[C@@H](C)C(=O)NC(=O)NC3CC3)C

InChI

InChI=1S/C21H29N3O3/c1-13-4-7-18(14(2)12-13)19(25)16-8-10-24(11-9-16)15(3)20(26)23-21(27)22-17-5-6-17/h4,7,12,15-17H,5-6,8-11H2,1-3H3,(H2,22,23,26,27)/p+1/t15-/m0/s1