1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-methyl-butan-1-one CAS Name: 1-[4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-methyl-butan-1-one Formula: C21H34N3O2+ MolecularWeight: 360.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H33N3O2/c1-17(2)16-21(25)24-10-8-18(9-11-24)22-12-14-23(15-13-22)19-6-4-5-7-20(19)26-3/h4-7,17-18H,8-16H2,1-3H3/p+1