N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(1S)-1-carbamoyl-2-methyl-propyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(1S)-1-carbamoyl-2-methyl-propyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)C1=NOC(=C1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC(=O)C1=NOC(=C1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H24N4O3/c1-12(2)17(18(20)24)21-19(25)16-9-15(26-22-16)11-23-8-7-13-5-3-4-6-14(13)10-23/h3-6,9,12,17H,7-8,10-11H2,1-2H3,(H2,20,24)(H,21,25)/p+1/t17-/m0/s1