N-[(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-6-ethyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-6-ethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-6-ethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-6-ethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-6-ethyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-6-ethyl-4-keto-chromene-2-carboxamide Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCCCC4

InChI

InChI=1S/C27H32N2O4/c1-3-19-8-13-25-22(16-19)24(30)17-26(33-25)27(31)28-18-23(29-14-6-4-5-7-15-29)20-9-11-21(32-2)12-10-20/h8-13,16-17,23H,3-7,14-15,18H2,1-2H3,(H,28,31)/p+1/t23-/m1/s1