7-(ethylamino)-4,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 7-(ethylamino)-4,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 7-(ethylamino)-4,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 7-(ethylamino)-4,6-dimethyl-3-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-(ethylamino)-4,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 7-(ethylamino)-4,6-dimethyl-3-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C19H27N2O2+ MolecularWeight: 315.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C(C(=O)OC2=C1)C[NH+]3CCCCC3)C)C

Isomeric SMILES

CCNC1=C(C=C2C(=C(C(=O)OC2=C1)C[NH+]3CCCCC3)C)C

InChI

InChI=1S/C19H26N2O2/c1-4-20-17-11-18-15(10-13(17)2)14(3)16(19(22)23-18)12-21-8-6-5-7-9-21/h10-11,20H,4-9,12H2,1-3H3/p+1