4-(3,4-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazol-5-amine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazol-5-amine Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazol-5-amine CAS Name: 4-(3,4-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-isoxazolamine IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazol-5-amine Traditional Name: [4-(3,4-dimethoxyphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazol-5-yl]amine Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(ON=C2C[NH+]3CCC4=CC=CC=C4C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(ON=C2C[NH+]3CCC4=CC=CC=C4C3)N)OC

InChI

InChI=1S/C21H23N3O3/c1-25-18-8-7-15(11-19(18)26-2)20-17(23-27-21(20)22)13-24-10-9-14-5-3-4-6-16(14)12-24/h3-8,11H,9-10,12-13,22H2,1-2H3/p+1