[4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(4-ethylbenzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2OS/c1-2-15-5-7-16(8-6-15)14-19-9-11-20(12-10-19)18(21)17-4-3-13-22-17/h3-8,13H,2,9-12,14H2,1H3/p+1