3-[4-(1-adamantyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-(1-adamantyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-(1-adamantyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)N

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)N

InChI

InChI=1S/C20H29N3/c21-18-2-1-3-19(11-18)22-4-6-23(7-5-22)20-12-15-8-16(13-20)10-17(9-15)14-20/h1-3,11,15-17H,4-10,12-14,21H2/p+1