ethyl 6-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]pyridine-3-carboxylate CAS Name: 6-[[2-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]pyridine-3-carboxylate Traditional Name: 6-[[2-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]amino]nicotinic acid ethyl ester Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC3=NC=C(C=C3)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=CC=C2CNC3=NC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H30N4O2/c1-3-25-11-13-26(14-12-25)17-20-8-6-5-7-18(20)15-23-21-10-9-19(16-24-21)22(27)28-4-2/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,23,24)/p+1