[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxynaphthalen-2-yl)methanone

Systemtic Name: [4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxynaphthalen-2-yl)methanone Openeye Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-2-naphthyl)methanone CAS Name: [4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(3-methoxy-2-naphthalenyl)methanone IUPAC Name: [4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(3-methoxynaphthalen-2-yl)methanone Traditional Name: [4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-2-naphthyl)methanone Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-26-19-13-16-5-3-2-4-15(16)12-18(19)21(25)24-10-8-23(9-11-24)14-17-6-7-20(22)27-17/h2-7,12-13H,8-11,14H2,1H3/p+1