(3-methoxy-4-phenylmethoxy-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzyloxy-3-methoxy-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-benzoxy-3-methoxy-phenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C24H27N2O3S+ MolecularWeight: 423.54778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S/c1-28-23-15-21(7-8-22(23)29-17-19-5-3-2-4-6-19)24(27)26-12-10-25(11-13-26)16-20-9-14-30-18-20/h2-9,14-15,18H,10-13,16-17H2,1H3/p+1