(3-methoxynaphthalen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methoxynaphthalen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methoxy-2-naphthyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxy-2-naphthalenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxynaphthalen-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methoxy-2-naphthyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C21H22N2O2S/c1-25-20-13-18-5-3-2-4-17(18)12-19(20)21(24)23-9-7-22(8-10-23)14-16-6-11-26-15-16/h2-6,11-13,15H,7-10,14H2,1H3/p+1