4,8-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4,8-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-4,8-dimethyl-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)CN3CC[NH+](CC3)C)O)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)CN3CC[NH+](CC3)C)O)C)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3/c1-16-20-14-19(15-26-11-9-25(3)10-12-26)22(27)17(2)23(20)29-24(28)21(16)13-18-7-5-4-6-8-18/h4-8,14,27H,9-13,15H2,1-3H3/p+1