[4-[4-(1-adamantyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(1-adamantyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(1-adamantyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-(1-adamantyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-(1-adamantyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-(1-adamantyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C21H33N3+2 MolecularWeight: 327.50682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C[NH3+]

InChI

InChI=1S/C21H31N3/c22-15-16-1-3-20(4-2-16)23-5-7-24(8-6-23)21-12-17-9-18(13-21)11-19(10-17)14-21/h1-4,17-19H,5-15,22H2/p+2