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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C(C)C

InChI

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