(2S)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-N-[oxo-(propan-2-ylamino)methyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(isopropylcarbamoyl)propionamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)[NH+]1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)[NH+]1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O2/c1-14(2)20-19(24)21-18(23)15(3)22-11-9-17(10-12-22)13-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H2,20,21,23,24)/p+1/t15-/m0/s1