3-(2-methoxyphenyl)-N-[2-[(2R)-1-methylazepan-1-ium-2-yl]carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-(2-methoxyphenyl)-N-[2-[(2R)-1-methylazepan-1-ium-2-yl]carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-(2-methoxyphenyl)-N-[2-[(2R)-1-methylazepan-1-ium-2-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-(2-methoxyphenyl)-N-[2-[[(2R)-1-methyl-2-azepan-1-iumyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-(2-methoxyphenyl)-N-[2-[(2R)-1-methylazepan-1-ium-2-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-(2-methoxyphenyl)-N-[2-[(2R)-1-methylazepan-1-ium-2-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4OC

Isomeric SMILES

C[NH+]1CCCCC[C@@H]1C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4OC

InChI

InChI=1S/C27H35N3O3/c1-29-16-7-3-4-9-24(29)27(32)30-17-15-20-11-13-23(18-22(20)19-30)28-26(31)14-12-21-8-5-6-10-25(21)33-2/h5-6,8,10-11,13,18,24H,3-4,7,9,12,14-17,19H2,1-2H3,(H,28,31)/p+1/t24-/m1/s1