(3R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]nipecotamide Formula: C18H27N4O3+ MolecularWeight: 347.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O)C(=O)N

InChI

InChI=1S/C18H26N4O3/c19-18(25)14-4-3-7-22(12-14)17(24)13-20-8-10-21(11-9-20)15-5-1-2-6-16(15)23/h1-2,5-6,14,23H,3-4,7-13H2,(H2,19,25)/p+1/t14-/m1/s1