2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline

Systemtic Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline Openeye Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline CAS Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]-3-methylquinoxaline IUPAC Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]-3-methylquinoxaline Traditional Name: 2-[[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline Formula: C26H34N5O+ MolecularWeight: 432.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H33N5O/c1-20-26(28-25-8-4-3-7-24(25)27-20)19-29-13-5-6-22(18-29)31-16-14-30(15-17-31)21-9-11-23(32-2)12-10-21/h3-4,7-12,22H,5-6,13-19H2,1-2H3/p+1/t22-/m0/s1