ethoxycarbonyl-[2-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium

Systemtic Name: ethoxycarbonyl-[2-oxidanyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Openeye Name: ethoxycarbonyl-[2-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium CAS Name: ethoxycarbonyl-[2-hydroxy-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene]ammonium IUPAC Name: ethoxycarbonyl-[2-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]azanium Traditional Name: carbethoxy-[2-hydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-ylidene]ammonium Formula: C23H31N3O4+2 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[NH+]=C1CCC2=C(C=C(OC2C1)O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O4/c1-2-29-23(28)24-18-8-9-20-17(14-22(27)30-21(20)15-18)16-25-10-12-26(13-11-25)19-6-4-3-5-7-19/h3-7,14,21,27H,2,8-13,15-16H2,1H3/p+2