2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(1-isopropyl-4-piperidyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C23H38N3O4+ MolecularWeight: 420.56552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C23H37N3O4/c1-17(2)25-7-4-19(5-8-25)26-10-9-24(15-20(26)6-11-27)14-18-12-21(28-3)23-22(13-18)29-16-30-23/h12-13,17,19-20,27H,4-11,14-16H2,1-3H3/p+1/t20-/m0/s1