(6S,8S,8aS)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-6-propyl-8,8a-dihydro-6H-chromene-2,7-dione

Systemtic Name: (6S,8S,8aS)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-6-propyl-8,8a-dihydro-6H-chromene-2,7-dione Openeye Name: (6S,8S,8aS)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-6-propyl-8,8a-dihydro-6H-chromene-2,7-dione CAS Name: (6S,8S,8aS)-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-phenyl-6-propyl-8,8a-dihydro-6H-1-benzopyran-2,7-dione IUPAC Name: (6S,8S,8aS)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-6-propyl-8,8a-dihydro-6H-chromene-2,7-dione Traditional Name: (6S,8S,8aS)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-6-propyl-8,8a-dihydro-6H-chromene-2,7-quinone Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C=C2C(C(C1=O)CN3CC[NH+](CC3)C)OC(=O)C=C2C4=CC=CC=C4

Isomeric SMILES

CCC[C@H]1C=C2[C@H]([C@@H](C1=O)CN3CC[NH+](CC3)C)OC(=O)C=C2C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O3/c1-3-7-18-14-20-19(17-8-5-4-6-9-17)15-22(27)29-24(20)21(23(18)28)16-26-12-10-25(2)11-13-26/h4-6,8-9,14-15,18,21,24H,3,7,10-13,16H2,1-2H3/p+1/t18-,21+,24+/m0/s1