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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-3-19(2)22(25-23(28)21-12-8-5-9-13-21)24(29)27-16-14-26(15-17-27)18-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3,(H,25,28)/p+1/t19-,22-/m0/s1