2-[(2S)-4-[(4-methoxy-3-methyl-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(4-methoxy-3-methyl-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-methoxy-3-methylphenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-methoxy-3-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-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C23H40N3O2+ MolecularWeight: 390.5826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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