ethyl N-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)chromen-2-yl]carbamate

Systemtic Name: ethyl N-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)chromen-2-yl]carbamate Openeye Name: ethyl N-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)chromen-2-yl]carbamate CAS Name: N-[4-oxo-3-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)chromen-2-yl]carbamate Traditional Name: N-[4-keto-3-(piperidin-1-ium-1-ylmethyl)chromen-2-yl]carbamic acid ethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C(=O)C2=CC=CC=C2O1)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)NC1=C(C(=O)C2=CC=CC=C2O1)C[NH+]3CCCCC3

InChI

InChI=1S/C18H22N2O4/c1-2-23-18(22)19-17-14(12-20-10-6-3-7-11-20)16(21)13-8-4-5-9-15(13)24-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,19,22)/p+1