[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-isopropylpiperazin-4-ium-1-yl)-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: [4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-isopropylpiperazin-4-ium-1-yl)-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Formula: C27H39N3O2+2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-22(2)29-18-20-30(21-19-29)27(31)24-8-10-25(11-9-24)32-26-13-16-28(17-14-26)15-12-23-6-4-3-5-7-23/h3-11,22,26H,12-21H2,1-2H3/p+2