(4,5-dimethyl-3-oxidanylidene-hex-4-enyl)-dimethyl-(pyren-2-ylmethyl)azanium

Systemtic Name: (4,5-dimethyl-3-oxidanylidene-hex-4-enyl)-dimethyl-(pyren-2-ylmethyl)azanium Openeye Name: (4,5-dimethyl-3-oxo-hex-4-enyl)-dimethyl-(pyren-2-ylmethyl)ammonium CAS Name: (4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-(2-pyrenylmethyl)ammonium IUPAC Name: (4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-(pyren-2-ylmethyl)azanium Traditional Name: (3-keto-4,5-dimethyl-hex-4-enyl)-dimethyl-(pyren-2-ylmethyl)ammonium Formula: C27H30NO+ MolecularWeight: 384.5332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)C(=O)CC[N+](C)(C)CC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)C

Isomeric SMILES

CC(=C(C)C(=O)CC[N+](C)(C)CC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)C

InChI

InChI=1S/C27H30NO/c1-18(2)19(3)25(29)13-14-28(4,5)17-20-15-23-11-9-21-7-6-8-22-10-12-24(16-20)27(23)26(21)22/h6-12,15-16H,13-14,17H2,1-5H3/q+1