2-(phenylmethyl)isoquinolin-2-ium-5-amine perchlorate

Systemtic Name: 2-(phenylmethyl)isoquinolin-2-ium-5-amine perchlorate Openeye Name: 2-benzylisoquinolin-2-ium-5-amine perchlorate CAS Name: 2-(phenylmethyl)-5-isoquinolin-2-iumamine perchlorate IUPAC Name: 2-benzylisoquinolin-2-ium-5-amine perchlorate Traditional Name: (2-benzylisoquinolin-2-ium-5-yl)amine perchlorate Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C(=CC=C3)N.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C(=CC=C3)N.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H15N2.ClHO4/c17-16-8-4-7-14-12-18(10-9-15(14)16)11-13-5-2-1-3-6-13;2-1(3,4)5/h1-10,12H,11,17H2;(H,2,3,4,5)/q+1;/p-1