4-[[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N4O3/c1-15(21(27)23-17-5-3-16(4-6-17)20(22)26)24-11-13-25(14-12-24)18-7-9-19(28-2)10-8-18/h3-10,15H,11-14H2,1-2H3,(H2,22,26)(H,23,27)/p+1/t15-/m1/s1