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

Systemtic Name: (4,5-dimethyl-3-oxidanylidene-hex-4-enyl)-dimethyl-(pyren-4-ylmethyl)azanium Openeye Name: (4,5-dimethyl-3-oxo-hex-4-enyl)-dimethyl-(pyren-4-ylmethyl)ammonium CAS Name: (4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-(4-pyrenylmethyl)ammonium IUPAC Name: (4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-(pyren-4-ylmethyl)azanium Traditional Name: (3-keto-4,5-dimethyl-hex-4-enyl)-dimethyl-(pyren-4-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=CC=CC3=C2C4=C(C=CC=C14)C=C3)C

Isomeric SMILES

CC(=C(C)C(=O)CC[N+](C)(C)CC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)C

InChI

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