(3R)-7-chloranyl-N-(3-propan-2-yloxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-7-chloranyl-N-(3-propan-2-yloxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-7-chloro-N-(3-isopropoxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-7-chloro-N-(3-propan-2-yloxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-7-chloro-N-(3-propan-2-yloxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-7-chloro-N-(3-isopropoxypropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1CC2=C(C[NH2+]1)C=C(C=C2)Cl

Isomeric SMILES

CC(C)OCCCNC(=O)[C@H]1CC2=C(C[NH2+]1)C=C(C=C2)Cl

InChI

InChI=1S/C16H23ClN2O2/c1-11(2)21-7-3-6-18-16(20)15-9-12-4-5-14(17)8-13(12)10-19-15/h4-5,8,11,15,19H,3,6-7,9-10H2,1-2H3,(H,18,20)/p+1/t15-/m1/s1