2-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-2-methyl-benzamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-18(2)22(25-23(28)21-12-8-7-9-19(21)3)24(29)27-15-13-26(14-16-27)17-20-10-5-4-6-11-20/h4-12,18,22H,13-17H2,1-3H3,(H,25,28)/p+1/t22-/m0/s1