2-[6-(1-adamantyl)-1-oxidanylidene-3,4-dihydro-2H-carbazol-9-yl]ethyl-bis(phenylmethyl)azanium

Systemtic Name: 2-[6-(1-adamantyl)-1-oxidanylidene-3,4-dihydro-2H-carbazol-9-yl]ethyl-bis(phenylmethyl)azanium Openeye Name: 2-[6-(1-adamantyl)-1-oxo-3,4-dihydro-2H-carbazol-9-yl]ethyl-dibenzyl-ammonium CAS Name: 2-[6-(1-adamantyl)-1-oxo-3,4-dihydro-2H-carbazol-9-yl]ethyl-bis(phenylmethyl)ammonium IUPAC Name: 2-[6-(1-adamantyl)-1-oxo-3,4-dihydro-2H-carbazol-9-yl]ethyl-dibenzylazanium Traditional Name: 2-[6-(1-adamantyl)-1-keto-3,4-dihydro-2H-carbazol-9-yl]ethyl-dibenzyl-ammonium Formula: C38H43N2O+ MolecularWeight: 543.76082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)N(C3=C2C=C(C=C3)C45CC6CC(C4)CC(C6)C5)CC[NH+](CC7=CC=CC=C7)CC8=CC=CC=C8

Isomeric SMILES

C1CC2=C(C(=O)C1)N(C3=C2C=C(C=C3)C45CC6CC(C4)CC(C6)C5)CC[NH+](CC7=CC=CC=C7)CC8=CC=CC=C8

InChI

InChI=1S/C38H42N2O/c41-36-13-7-12-33-34-21-32(38-22-29-18-30(23-38)20-31(19-29)24-38)14-15-35(34)40(37(33)36)17-16-39(25-27-8-3-1-4-9-27)26-28-10-5-2-6-11-28/h1-6,8-11,14-15,21,29-31H,7,12-13,16-20,22-26H2/p+1