2-methoxy-4-[1-oxidanylidene-4-(4-phenoxyphenyl)-2-prop-2-enyl-piperidin-1-ium-3-yl]phenol

Systemtic Name: 2-methoxy-4-[1-oxidanylidene-4-(4-phenoxyphenyl)-2-prop-2-enyl-piperidin-1-ium-3-yl]phenol Openeye Name: 4-[2-allyl-1-oxo-4-(4-phenoxyphenyl)piperidin-1-ium-3-yl]-2-methoxy-phenol CAS Name: 2-methoxy-4-[1-oxo-4-(4-phenoxyphenyl)-2-prop-2-enyl-3-piperidin-1-iumyl]phenol IUPAC Name: 2-methoxy-4-[1-oxo-4-(4-phenoxyphenyl)-2-prop-2-enylpiperidin-1-ium-3-yl]phenol Traditional Name: 4-[2-allyl-1-keto-4-(4-phenoxyphenyl)piperidin-1-ium-3-yl]-2-methoxy-phenol Formula: C27H28NO4+ MolecularWeight: 430.51552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(CC[N+](=O)C2CC=C)C3=CC=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(CC[N+](=O)C2CC=C)C3=CC=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C27H27NO4/c1-3-7-24-27(20-12-15-25(29)26(18-20)31-2)23(16-17-28(24)30)19-10-13-22(14-11-19)32-21-8-5-4-6-9-21/h3-6,8-15,18,23-24,27H,1,7,16-17H2,2H3/p+1