N,N-dimethyl-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N,N-dimethyl-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide CAS Name: N,N-dimethyl-1-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-dimethyl-1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-N,N-dimethyl-piperidin-1-ium-4-carboxamide Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)C(=O)N(C)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)C(=O)N(C)C)C(C)C

InChI

InChI=1S/C22H30N2O3/c1-14(2)18-12-19-17(11-21(25)27-20(19)10-15(18)3)13-24-8-6-16(7-9-24)22(26)23(4)5/h10-12,14,16H,6-9,13H2,1-5H3/p+1