2-[(1R)-1-(1-adamantyl)ethyl]-3H-isoindol-2-ium-1-amine

Systemtic Name: 2-[(1R)-1-(1-adamantyl)ethyl]-3H-isoindol-2-ium-1-amine Openeye Name: 2-[(1R)-1-(1-adamantyl)ethyl]-3H-isoindol-2-ium-1-amine CAS Name: 2-[(1R)-1-(1-adamantyl)ethyl]-3H-isoindol-2-ium-1-amine IUPAC Name: 2-[(1R)-1-(1-adamantyl)ethyl]-3H-isoindol-2-ium-1-amine Traditional Name: [2-[(1R)-1-(1-adamantyl)ethyl]-3H-isoindol-2-ium-1-yl]amine Formula: C20H27N2+ MolecularWeight: 295.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[N+]4=C(C5=CC=CC=C5C4)N

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)[N+]4=C(C5=CC=CC=C5C4)N

InChI

InChI=1S/C20H26N2/c1-13(22-12-17-4-2-3-5-18(17)19(22)21)20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,21H,6-12H2,1H3/p+1/t13-,14?,15?,16?,20?/m1/s1