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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1-benzotriazolyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(benzotriazol-1-yl)piperidin-1-ium-1-yl]propionamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCC(CC3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H23N5O3/c1-14(21(27)22-15-6-7-19-20(12-15)29-13-28-19)25-10-8-16(9-11-25)26-18-5-3-2-4-17(18)23-24-26/h2-7,12,14,16H,8-11,13H2,1H3,(H,22,27)/p+1/t14-/m1/s1