1-adamantylmethyl-[(4-imidazol-1-ylphenyl)methyl]azanium

Systemtic Name: 1-adamantylmethyl-[(4-imidazol-1-ylphenyl)methyl]azanium Openeye Name: 1-adamantylmethyl-[(4-imidazol-1-ylphenyl)methyl]ammonium CAS Name: 1-adamantylmethyl-[[4-(1-imidazolyl)phenyl]methyl]ammonium IUPAC Name: 1-adamantylmethyl-[(4-imidazol-1-ylphenyl)methyl]azanium Traditional Name: 1-adamantylmethyl-(4-imidazol-1-ylbenzyl)ammonium Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[NH2+]CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[NH2+]CC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C21H27N3/c1-3-20(24-6-5-22-15-24)4-2-16(1)13-23-14-21-10-17-7-18(11-21)9-19(8-17)12-21/h1-6,15,17-19,23H,7-14H2/p+1