7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C24H27N3O4/c1-16(2)21-14-22-18(13-24(28)31-23(22)12-17(21)3)15-25-8-10-26(11-9-25)19-4-6-20(7-5-19)27(29)30/h4-7,12-14,16H,8-11,15H2,1-3H3/p+1