N-[2-(4-methoxyphenyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H28N2O2/c1-30-25-12-8-20(9-13-25)14-16-27-26(29)23-10-6-21(7-11-23)18-28-17-15-22-4-2-3-5-24(22)19-28/h2-13H,14-19H2,1H3,(H,27,29)/p+1