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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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