[3-[[4-oxidanidyl-4-(2-propan-2-yloxyphenyl)piperazin-4-ium-1-yl]methyl]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [3-[[4-oxidanidyl-4-(2-propan-2-yloxyphenyl)piperazin-4-ium-1-yl]methyl]phenyl]-piperidin-1-yl-methanone Openeye Name: [3-[[4-(2-isopropoxyphenyl)-4-oxido-piperazin-4-ium-1-yl]methyl]phenyl]-(1-piperidyl)methanone CAS Name: [3-[[4-oxido-4-(2-propan-2-yloxyphenyl)-1-piperazin-4-iumyl]methyl]phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-[[4-oxido-4-(2-propan-2-yloxyphenyl)piperazin-4-ium-1-yl]methyl]phenyl]-piperidin-1-ylmethanone Traditional Name: [3-[[4-(2-isopropoxyphenyl)-4-oxido-piperazin-4-ium-1-yl]methyl]phenyl]-piperidino-methanone Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1[N+]2(CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCCCC4)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1[N+]2(CCN(CC2)CC3=CC=CC(=C3)C(=O)N4CCCCC4)[O-]

InChI

InChI=1S/C26H35N3O3/c1-21(2)32-25-12-5-4-11-24(25)29(31)17-15-27(16-18-29)20-22-9-8-10-23(19-22)26(30)28-13-6-3-7-14-28/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3