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

Systemtic Name: 2-methyl-N-[(2R)-4-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]pentan-2-yl]benzamide Openeye Name: N-[(1R)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-butyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[(2R)-4-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]pentan-2-yl]benzamide IUPAC Name: N-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide Traditional Name: N-[(1R)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methyl-butyl]-2-methyl-benzamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-19(2)17-23(26-24(29)22-12-8-7-9-20(22)3)25(30)28-15-13-27(14-16-28)18-21-10-5-4-6-11-21/h4-12,19,23H,13-18H2,1-3H3,(H,26,29)/p+1/t23-/m1/s1