[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O3/c1-23(16-17-28-21-6-4-3-5-7-21)18-22(26)25-14-12-24(13-15-25)19-8-10-20(27-2)11-9-19/h3-11H,12-18H2,1-2H3/p+1