N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-[(2-propan-2-yloxyphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-[(2-propan-2-yloxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-[(2-isopropoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[(2-propan-2-yloxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[(2-propan-2-yloxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(2-isopropoxybenzyl)piperazin-4-ium-1-carboxamide Formula: C23H31ClN3O4+ MolecularWeight: 448.96294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC(C)OC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C23H30ClN3O4/c1-16(2)31-20-8-6-5-7-17(20)15-26-9-11-27(12-10-26)23(28)25-19-13-18(24)21(29-3)14-22(19)30-4/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)/p+1