[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C23H27N2O4S+ MolecularWeight: 427.53648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C23H26N2O4S/c1-27-19-12-16(13-20(28-2)22(19)29-3)23(26)25-10-8-24(9-11-25)14-17-15-30-21-7-5-4-6-18(17)21/h4-7,12-13,15H,8-11,14H2,1-3H3/p+1