8-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxidanyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxidanyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-4-hydroxy-2-methyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 8-(1-azepan-1-iumylmethyl)-4-hydroxy-2-methyl-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-4-hydroxy-2-methyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-hydroxy-2-methyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Formula: C23H30NO3+ MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCCCC3)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+]3CCCCCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C23H29NO3/c1-16-21(17-9-5-4-6-10-17)22(26)18-11-12-20(25)19(23(18)27-16)15-24-13-7-2-3-8-14-24/h4-6,9-10,19,23,26H,2-3,7-8,11-15H2,1H3/p+1