(3R)-N,N-bis(cyanomethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N,N-bis(cyanomethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N,N-bis(cyanomethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N,N-bis(cyanomethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N,N-bis(cyanomethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N,N-bis(cyanomethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C14H15N4O+ MolecularWeight: 255.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)N(CC#N)CC#N

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)N(CC#N)CC#N

InChI

InChI=1S/C14H14N4O/c15-5-7-18(8-6-16)14(19)13-9-11-3-1-2-4-12(11)10-17-13/h1-4,13,17H,7-10H2/p+1/t13-/m1/s1