1-isoquinolin-5-yl-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: 1-isoquinolin-5-yl-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: 1-(5-isoquinolyl)-1-(p-tolylmethyl)piperidin-1-ium-3-amine CAS Name: 1-(5-isoquinolinyl)-1-[(4-methylphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: 1-isoquinolin-5-yl-1-[(4-methylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [1-(5-isoquinolyl)-1-(4-methylbenzyl)piperidin-1-ium-3-yl]amine Formula: C22H26N3+ MolecularWeight: 332.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCCC(C2)N)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCCC(C2)N)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H26N3/c1-17-7-9-18(10-8-17)15-25(13-3-5-20(23)16-25)22-6-2-4-19-14-24-12-11-21(19)22/h2,4,6-12,14,20H,3,5,13,15-16,23H2,1H3/q+1