1-methyl-1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-1-ium-2,6-dione

Systemtic Name: 1-methyl-1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-1-ium-2,6-dione Openeye Name: 1-[[3-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-1-methyl-piperidin-1-ium-2,6-dione CAS Name: 1-methyl-1-[[3-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]phenyl]methyl]piperidin-1-ium-2,6-dione IUPAC Name: 1-methyl-1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-1-ium-2,6-dione Traditional Name: 1-[3-[[4-(2-isopropoxyphenyl)piperazino]methyl]benzyl]-1-methyl-piperidin-1-ium-2,6-quinone Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)C[N+]4(C(=O)CCCC4=O)C

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)C[N+]4(C(=O)CCCC4=O)C

InChI

InChI=1S/C27H36N3O3/c1-21(2)33-25-11-5-4-10-24(25)29-16-14-28(15-17-29)19-22-8-6-9-23(18-22)20-30(3)26(31)12-7-13-27(30)32/h4-6,8-11,18,21H,7,12-17,19-20H2,1-3H3/q+1