N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-2-furamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H31N3O3/c1-20(2)24(28-26(31)23-14-9-19-33-23)27(32)30-17-15-29(16-18-30)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-14,19-20,24-25H,15-18H2,1-2H3,(H,28,31)/p+1/t24-/m0/s1