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

Systemtic Name: [2-(2-azanylethyl)-4-(2-methoxyphenyl)-1-(2-phenoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Openeye Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-phenoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone CAS Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-phenoxyphenyl)-1-piperazin-1-iumyl]-cyclohexylmethanone IUPAC Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-phenoxyphenyl)piperazin-1-ium-1-yl]-cyclohexylmethanone Traditional Name: [2-(2-aminoethyl)-4-(2-methoxyphenyl)-1-(2-phenoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Formula: C32H40N3O3+ MolecularWeight: 514.6783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3OC4=CC=CC=C4)C(=O)C5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3OC4=CC=CC=C4)C(=O)C5CCCCC5

InChI

InChI=1S/C32H40N3O3/c1-37-30-18-10-8-16-28(30)34-22-23-35(26(24-34)20-21-33,32(36)25-12-4-2-5-13-25)29-17-9-11-19-31(29)38-27-14-6-3-7-15-27/h3,6-11,14-19,25-26H,2,4-5,12-13,20-24,33H2,1H3/q+1