2-[(2S)-1-(1-methylpiperidin-4-yl)-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-(1-phenyl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-(1-phenylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-methyl-4-piperidyl)-4-(1-phenyl-4-piperidyl)piperazin-4-ium-2-yl]ethanol Formula: C23H39N4O+ MolecularWeight: 387.58196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CC[NH+](CC2CCO)C3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)C3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H38N4O/c1-24-12-7-22(8-13-24)27-17-16-26(19-23(27)11-18-28)21-9-14-25(15-10-21)20-5-3-2-4-6-20/h2-6,21-23,28H,7-19H2,1H3/p+1/t23-/m0/s1