[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-propylthiophen-3-yl)methanone

Systemtic Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-propylthiophen-3-yl)methanone Openeye Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-propyl-3-thienyl)methanone CAS Name: [4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(5-propyl-3-thiophenyl)methanone IUPAC Name: [4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(5-propylthiophen-3-yl)methanone Traditional Name: (4-m-anisylpiperazin-4-ium-1-yl)-(5-propyl-3-thienyl)methanone Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCCC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H26N2O2S/c1-3-5-19-13-17(15-25-19)20(23)22-10-8-21(9-11-22)14-16-6-4-7-18(12-16)24-2/h4,6-7,12-13,15H,3,5,8-11,14H2,1-2H3/p+1