[2-(2-azanylethyl)-1,4-bis(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone

Systemtic Name: [2-(2-azanylethyl)-1,4-bis(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Openeye Name: [2-(2-aminoethyl)-1,4-bis(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone CAS Name: [2-(2-aminoethyl)-1,4-bis(2-methoxyphenyl)-1-piperazin-1-iumyl]-cyclohexylmethanone IUPAC Name: [2-(2-aminoethyl)-1,4-bis(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexylmethanone Traditional Name: [2-(2-aminoethyl)-1,4-bis(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Formula: C27H38N3O3+ MolecularWeight: 452.60892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3OC)C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3OC)C(=O)C4CCCCC4

InChI

InChI=1S/C27H38N3O3/c1-32-25-14-8-6-12-23(25)29-18-19-30(22(20-29)16-17-28,24-13-7-9-15-26(24)33-2)27(31)21-10-4-3-5-11-21/h6-9,12-15,21-22H,3-5,10-11,16-20,28H2,1-2H3/q+1