(4,5-dimethyl-3-oxidanylidene-hex-4-enyl)-dimethyl-(pyren-1-ylmethyl)azanium

Systemtic Name: (4,5-dimethyl-3-oxidanylidene-hex-4-enyl)-dimethyl-(pyren-1-ylmethyl)azanium Openeye Name: (4,5-dimethyl-3-oxo-hex-4-enyl)-dimethyl-(pyren-1-ylmethyl)ammonium CAS Name: (4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-(1-pyrenylmethyl)ammonium IUPAC Name: (4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-(pyren-1-ylmethyl)azanium Traditional Name: (3-keto-4,5-dimethyl-hex-4-enyl)-dimethyl-(pyren-1-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=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C

Isomeric SMILES

CC(=C(C)C(=O)CC[N+](C)(C)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C

InChI

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