1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 1-(1-piperidinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]-1-piperidino-ethanone Formula: C21H35N3O+2 MolecularWeight: 345.5221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C21H33N3O/c1-18(2)20-8-6-19(7-9-20)16-22-12-14-23(15-13-22)17-21(25)24-10-4-3-5-11-24/h6-9,18H,3-5,10-17H2,1-2H3/p+2