isoquinolin-1-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: isoquinolin-1-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: 1-isoquinolyl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: 1-isoquinolinyl-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: isoquinolin-1-yl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: 1-isoquinolyl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C26H31N4O2+ MolecularWeight: 431.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C26H30N4O2/c1-32-24-11-5-4-10-23(24)29-17-15-28(16-18-29)21-8-6-14-30(19-21)26(31)25-22-9-3-2-7-20(22)12-13-27-25/h2-5,7,9-13,21H,6,8,14-19H2,1H3/p+1/t21-/m0/s1