2-thiophen-2-yl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 2-thiophen-2-yl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinazoline Openeye Name: 2-(2-thienyl)-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinazoline CAS Name: 2-thiophen-2-yl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]quinazoline IUPAC Name: 2-thiophen-2-yl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinazoline Traditional Name: 2-(2-thienyl)-4-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]quinazoline Formula: C26H29N4O3S+ MolecularWeight: 477.59846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5)OC)OC

InChI

InChI=1S/C26H28N4O3S/c1-31-21-11-10-18(23(32-2)24(21)33-3)17-29-12-14-30(15-13-29)26-19-7-4-5-8-20(19)27-25(28-26)22-9-6-16-34-22/h4-11,16H,12-15,17H2,1-3H3/p+1