(2S)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+]1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)[NH+]1CCC(CC1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H28N4O3/c1-14(18(25)22-20(27)21-2)23-10-8-16(9-11-23)19(26)24-12-7-15-5-3-4-6-17(15)13-24/h3-6,14,16H,7-13H2,1-2H3,(H2,21,22,25,27)/p+1/t14-/m0/s1