(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-1-(4-propan-2-ylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-1-(4-propan-2-ylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (3R)-3-(1,3-benzodioxol-5-yl)-1-(4-isopropylpiperazin-4-ium-1-yl)-3-phenyl-propan-1-one CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-1-(4-propan-2-yl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-1-(4-propan-2-ylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-1-(4-isopropylpiperazin-4-ium-1-yl)-3-phenyl-propan-1-one Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)C[C@H](C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c1-17(2)24-10-12-25(13-11-24)23(26)15-20(18-6-4-3-5-7-18)19-8-9-21-22(14-19)28-16-27-21/h3-9,14,17,20H,10-13,15-16H2,1-2H3/p+1/t20-/m1/s1