4-(butylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(butylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(butylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(butylamino)-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(butylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(butylamino)-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCC3

Isomeric SMILES

CCCCNC1=C(C(=O)OC2=CC=CC=C21)C[NH+]3CCCC3

InChI

InChI=1S/C18H24N2O2/c1-2-3-10-19-17-14-8-4-5-9-16(14)22-18(21)15(17)13-20-11-6-7-12-20/h4-5,8-9,19H,2-3,6-7,10-13H2,1H3/p+1