2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-propyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-propylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-(1-propyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C23H40N3O2+ MolecularWeight: 390.5826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCN(C(C2)CCO)CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCN([C@H](C2)CCO)CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H39N3O2/c1-3-12-24-13-9-21(10-14-24)26-16-15-25(22(19-26)11-17-27)18-20-5-7-23(8-6-20)28-4-2/h5-8,21-22,27H,3-4,9-19H2,1-2H3/p+1/t22-/m0/s1