2-adamantyl-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]azanium

Systemtic Name: 2-adamantyl-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]azanium Openeye Name: 2-adamantyl-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]ammonium CAS Name: 2-adamantyl-[[1-[(2,4-dichlorophenyl)methyl]-3-indolyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]azanium Traditional Name: 2-adamantyl-[[1-(2,4-dichlorobenzyl)indol-3-yl]methyl]ammonium Formula: C26H29Cl2N2+ MolecularWeight: 440.42786

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3[NH2+]CC4=CN(C5=CC=CC=C54)CC6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3[NH2+]CC4=CN(C5=CC=CC=C54)CC6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C26H28Cl2N2/c27-22-6-5-18(24(28)12-22)14-30-15-21(23-3-1-2-4-25(23)30)13-29-26-19-8-16-7-17(10-19)11-20(26)9-16/h1-6,12,15-17,19-20,26,29H,7-11,13-14H2/p+1