(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]ammonium CAS Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-methyl-ammonium Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H31N3O4S/c1-28(19-26(31)29-12-14-30(15-13-29)27(32)25-9-6-16-35-25)18-22-10-11-23(24(17-22)33-2)34-20-21-7-4-3-5-8-21/h3-11,16-17H,12-15,18-20H2,1-2H3/p+1