(2R)-N-(1-adamantylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H31N3O2/c1-15(26-7-6-19-4-2-3-5-20(19)14-26)21(27)24-22(28)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h2-5,15-18H,6-14H2,1H3,(H2,24,25,27,28)/p+1/t15-,16?,17?,18?,23?/m1/s1