[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C19H24N2O3S/c1-3-24-17-13-15(6-7-16(17)23-2)14-20-8-10-21(11-9-20)19(22)18-5-4-12-25-18/h4-7,12-13H,3,8-11,14H2,1-2H3/p+1