2-[(5R,7S)-3-(4-aminophenyl)-1-adamantyl]ethylazanium

Systemtic Name: 2-[(5R,7S)-3-(4-aminophenyl)-1-adamantyl]ethylazanium Openeye Name: 2-[(5R,7S)-3-(4-aminophenyl)-1-adamantyl]ethylammonium CAS Name: 2-[(5R,7S)-3-(4-aminophenyl)-1-adamantyl]ethylammonium IUPAC Name: 2-[(5R,7S)-3-(4-aminophenyl)-1-adamantyl]ethylazanium Traditional Name: 2-[(5R,7S)-3-(4-aminophenyl)-1-adamantyl]ethylammonium Formula: C18H27N2+ MolecularWeight: 271.42038

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)N)CC[NH3+]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)N)CC[NH3+]

InChI

InChI=1S/C18H26N2/c19-6-5-17-8-13-7-14(9-17)11-18(10-13,12-17)15-1-3-16(20)4-2-15/h1-4,13-14H,5-12,19-20H2/p+1/t13-,14+,17?,18?