[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethoxyphenyl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethoxyphenyl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethoxyphenyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2,5-dimethoxyphenyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethoxyphenyl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethoxyphenyl)methanone Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-23-13-3-5-16(24-2)15(11-13)18(22)21-9-7-20(8-10-21)12-14-4-6-17(19)25-14/h3-6,11H,7-10,12H2,1-2H3/p+1