N-(1-adamantyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1-adamantyl)-4-[(4-ethylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-adamantyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(4-ethylbenzyl)piperazin-4-ium-1-carboxamide Formula: C24H36N3O+ MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H35N3O/c1-2-18-3-5-19(6-4-18)17-26-7-9-27(10-8-26)23(28)25-24-14-20-11-21(15-24)13-22(12-20)16-24/h3-6,20-22H,2,7-17H2,1H3,(H,25,28)/p+1