N-[(1R)-1-phenylethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-[(1R)-1-phenylethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[(1R)-1-phenylethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[(1R)-1-phenylethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-[(1R)-1-phenylethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[(1R)-1-phenylethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C25H27N2O+ MolecularWeight: 371.49468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H26N2O/c1-19(21-7-3-2-4-8-21)26-25(28)23-13-11-20(12-14-23)17-27-16-15-22-9-5-6-10-24(22)18-27/h2-14,19H,15-18H2,1H3,(H,26,28)/p+1/t19-/m1/s1