2-methyl-N-[3-oxidanylidene-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]benzamide

Systemtic Name: 2-methyl-N-[3-oxidanylidene-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: N-[3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: 2-methyl-N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]propyl]benzamide Traditional Name: N-[3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]-2-methyl-benzamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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