4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-propan-2-yl-chromen-2-one Openeye Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-isopropyl-chromen-2-one CAS Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-propan-2-ylchromen-2-one Traditional Name: 4-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-ylmethyl)-6-isopropyl-coumarin Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCC4(CC3)OCCO4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCC4(CC3)OCCO4

InChI

InChI=1S/C20H25NO4/c1-14(2)15-3-4-18-17(11-15)16(12-19(22)25-18)13-21-7-5-20(6-8-21)23-9-10-24-20/h3-4,11-12,14H,5-10,13H2,1-2H3/p+1