5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]isoxazole-3-carboxamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCN(C)C(=O)C2=NOC(=C2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=[N+](C=CN1)CCN(C)C(=O)C2=NOC(=C2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N5O2/c1-16-22-8-10-26(16)12-11-24(2)21(27)20-13-19(28-23-20)15-25-9-7-17-5-3-4-6-18(17)14-25/h3-6,8,10,13H,7,9,11-12,14-15H2,1-2H3/p+1