N-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]-3H-benzo[f]chromene-2-carboxamide

Systemtic Name: N-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]-3H-benzo[f]chromene-2-carboxamide Openeye Name: N-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]-3H-benzo[f]chromene-2-carboxamide CAS Name: N-[4-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]phenyl]-3H-benzo[f][1]benzopyran-2-carboxamide IUPAC Name: N-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]-3H-benzo[f]chromene-2-carboxamide Traditional Name: N-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]-3H-benzo[f]chromene-2-carboxamide Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3

Isomeric SMILES

C[N+]1(CCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3

InChI

InChI=1S/C26H26N2O2/c1-28(14-4-5-15-28)17-19-8-11-22(12-9-19)27-26(29)21-16-24-23-7-3-2-6-20(23)10-13-25(24)30-18-21/h2-3,6-13,16H,4-5,14-15,17-18H2,1H3/p+1