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

Systemtic Name: ethyl N-[3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H24N4O3/c1-2-27-20(26)22-18-5-3-4-17(14-18)19(25)24-12-10-23(11-13-24)15-16-6-8-21-9-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,22,26)/p+1