(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H25N3O4/c1-15(21(25)22-16-6-7-19-20(12-16)28-14-27-19)23-8-10-24(11-9-23)17-4-3-5-18(13-17)26-2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1