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ethyl 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxylate

ethyl 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxylate

Systemtic Name:ethyl 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxylate
Openeye Name:ethyl 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxylate
CAS Name:6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-4-iumyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC Name:ethyl 6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]pyridine-3-carboxylate
Traditional Name:6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]nicotinic acid ethyl ester
Formula: C21H26N3O4+
MolecularWeight: 384.44884
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCCO4


Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCCO4


InChI

InChI=1S/C21H25N3O4/c1-2-26-21(25)17-4-6-20(22-14-17)24-9-7-23(8-10-24)15-16-3-5-18-19(13-16)28-12-11-27-18/h3-6,13-14H,2,7-12,15H2,1H3/p+1


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