(2R)-2-isoquinolin-2-ium-2-yl-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-isoquinolin-2-ium-2-yl-N-methyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-isoquinolin-2-ium-2-yl-N-methyl-propanamide CAS Name: (2R)-2-(2-isoquinolin-2-iumyl)-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-isoquinolin-2-ium-2-yl-N-methylpropanamide Traditional Name: (2R)-N-benzyl-2-isoquinolin-2-ium-2-yl-N-methyl-propionamide Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21N2O/c1-16(20(23)21(2)14-17-8-4-3-5-9-17)22-13-12-18-10-6-7-11-19(18)15-22/h3-13,15-16H,14H2,1-2H3/q+1/t16-/m1/s1