N-(1-adamantyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1-adamantyl)-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-adamantyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(4-isopropylbenzyl)piperazin-4-ium-1-carboxamide Formula: C25H38N3O+ MolecularWeight: 396.58872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O/c1-18(2)23-5-3-19(4-6-23)17-27-7-9-28(10-8-27)24(29)26-25-14-20-11-21(15-25)13-22(12-20)16-25/h3-6,18,20-22H,7-17H2,1-2H3,(H,26,29)/p+1