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

Systemtic Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-(1-adamantyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-(1-adamantyl)piperazin-4-ium-1-yl]aniline Traditional Name: [4-[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=C(C=C5)N

Isomeric SMILES

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

InChI

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