2-[(2S)-1-[(2-methylphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1-isopropyl-4-piperidyl)-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(1-propan-2-yl-4-piperidinyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(1-propan-2-ylpiperidin-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1-isopropyl-4-piperidyl)-1-(2-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H38N3O+ MolecularWeight: 360.55662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)C3CCN(CC3)C(C)C

InChI

InChI=1S/C22H37N3O/c1-18(2)23-11-8-21(9-12-23)25-14-13-24(22(17-25)10-15-26)16-20-7-5-4-6-19(20)3/h4-7,18,21-22,26H,8-17H2,1-3H3/p+1/t22-/m0/s1