5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(S3)CCC4)OC

InChI

InChI=1S/C21H26N2O3S/c1-25-17-7-6-15(12-18(17)26-2)14-22-8-10-23(11-9-22)21(24)20-13-16-4-3-5-19(16)27-20/h6-7,12-13H,3-5,8-11,14H2,1-2H3/p+1