ethyl N-[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]carbamate

Systemtic Name: ethyl N-[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]carbamate Openeye Name: ethyl N-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]carbamate CAS Name: N-[3-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]carbamate Traditional Name: N-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]carbamic acid ethyl ester Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C19H22N4O3/c1-2-26-19(25)21-16-5-3-4-15(14-16)18(24)23-12-10-22(11-13-23)17-6-8-20-9-7-17/h3-9,14H,2,10-13H2,1H3,(H,21,25)/p+1