N-[(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide

Systemtic Name: N-[(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide Openeye Name: N-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-4-ethoxy-benzamide CAS Name: N-[(2R)-1-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide IUPAC Name: N-[(2R)-1-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide Traditional Name: N-[(1R)-1-[4-(4-chlorobenzyl)piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-4-ethoxy-benzamide Formula: C25H33ClN3O3+ MolecularWeight: 459.00082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H32ClN3O3/c1-4-32-22-11-7-20(8-12-22)24(30)27-23(18(2)3)25(31)29-15-13-28(14-16-29)17-19-5-9-21(26)10-6-19/h5-12,18,23H,4,13-17H2,1-3H3,(H,27,30)/p+1/t23-/m1/s1