ethyl 2-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methylcarbamoylamino]ethanoate

Systemtic Name: ethyl 2-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methylcarbamoylamino]ethanoate Openeye Name: ethyl 2-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methylcarbamoylamino]acetate CAS Name: 2-[[[[2-(1-azocanyl)-3-pyridin-1-iumyl]methylamino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methylcarbamoylamino]acetate Traditional Name: 2-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methylcarbamoylamino]acetic acid ethyl ester Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NCC1=C([NH+]=CC=C1)N2CCCCCCC2

Isomeric SMILES

CCOC(=O)CNC(=O)NCC1=C([NH+]=CC=C1)N2CCCCCCC2

InChI

InChI=1S/C18H28N4O3/c1-2-25-16(23)14-21-18(24)20-13-15-9-8-10-19-17(15)22-11-6-4-3-5-7-12-22/h8-10H,2-7,11-14H2,1H3,(H2,20,21,24)/p+1