N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-2-methyl-1-(4-p-anisylpiperazin-4-ium-1-carbonyl)propyl]-2-phenyl-acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-19(2)24(26-23(29)17-20-7-5-4-6-8-20)25(30)28-15-13-27(14-16-28)18-21-9-11-22(31-3)12-10-21/h4-12,19,24H,13-18H2,1-3H3,(H,26,29)/p+1/t24-/m0/s1