1-isoquinolin-5-yl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: 1-isoquinolin-5-yl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: 1-[(4-isopropylphenyl)methyl]-1-(5-isoquinolyl)piperidin-1-ium-3-amine CAS Name: 1-(5-isoquinolinyl)-1-[(4-propan-2-ylphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: 1-isoquinolin-5-yl-1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [1-(4-isopropylbenzyl)-1-(5-isoquinolyl)piperidin-1-ium-3-yl]amine Formula: C24H30N3+ MolecularWeight: 360.5151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N3/c1-18(2)20-10-8-19(9-11-20)16-27(14-4-6-22(25)17-27)24-7-3-5-21-15-26-13-12-23(21)24/h3,5,7-13,15,18,22H,4,6,14,16-17,25H2,1-2H3/q+1