ethyl 6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]nicotinic acid ethyl ester Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H27N3O4/c1-4-28-21(25)16-5-8-20(22-14-16)24-11-9-23(10-12-24)15-17-13-18(26-2)6-7-19(17)27-3/h5-8,13-14H,4,9-12,15H2,1-3H3/p+1