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

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H29N3O2/c1-15(20(25)22-19-6-7-19)23-11-9-17(10-12-23)21(26)24-13-8-16-4-2-3-5-18(16)14-24/h2-5,15,17,19H,6-14H2,1H3,(H,22,25)/p+1/t15-/m0/s1