[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: [2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H29N3O3/c1-17-4-9-21(28-3)18(14-17)15-23(2)16-22(27)25-12-10-24(11-13-25)19-5-7-20(26)8-6-19/h4-9,14,26H,10-13,15-16H2,1-3H3/p+1