[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dimethoxyphenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dimethoxyphenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dimethoxyphenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-(2,4-dimethoxyphenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dimethoxyphenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2,4-dimethoxyphenyl)methanone Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43)OC

InChI

InChI=1S/C22H24N2O3S/c1-26-17-7-8-19(20(13-17)27-2)22(25)24-11-9-23(10-12-24)14-16-15-28-21-6-4-3-5-18(16)21/h3-8,13,15H,9-12,14H2,1-2H3/p+1