1-isoquinolin-5-yl-1-(4-methylpentyl)piperidin-1-ium-3-amine

Systemtic Name: 1-isoquinolin-5-yl-1-(4-methylpentyl)piperidin-1-ium-3-amine Openeye Name: 1-isohexyl-1-(5-isoquinolyl)piperidin-1-ium-3-amine CAS Name: 1-(5-isoquinolinyl)-1-(4-methylpentyl)-3-piperidin-1-iumamine IUPAC Name: 1-isoquinolin-5-yl-1-(4-methylpentyl)piperidin-1-ium-3-amine Traditional Name: [1-isohexyl-1-(5-isoquinolyl)piperidin-1-ium-3-yl]amine Formula: C20H30N3+ MolecularWeight: 312.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC[N+]1(CCCC(C1)N)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)CCC[N+]1(CCCC(C1)N)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H30N3/c1-16(2)6-4-12-23(13-5-8-18(21)15-23)20-9-3-7-17-14-22-11-10-19(17)20/h3,7,9-11,14,16,18H,4-6,8,12-13,15,21H2,1-2H3/q+1