N-[4-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylanilino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]-4-keto-butyl]adamantane-1-carboxamide Formula: C28H43N4O2+ MolecularWeight: 467.66662

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C28H42N4O2/c1-3-31-9-11-32(12-10-31)24-6-7-25(20(2)13-24)30-26(33)5-4-8-29-27(34)28-17-21-14-22(18-28)16-23(15-21)19-28/h6-7,13,21-23H,3-5,8-12,14-19H2,1-2H3,(H,29,34)(H,30,33)/p+1