5-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-1-[(2S)-butan-2-yl]-4-oxidanylidene-N-prop-2-enyl-pyridine-3-carboxamide

Systemtic Name: 5-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-1-[(2S)-butan-2-yl]-4-oxidanylidene-N-prop-2-enyl-pyridine-3-carboxamide Openeye Name: 5-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-N-allyl-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(1-adamantyl)-1-piperazin-4-iumyl]-oxomethyl]-1-[(2S)-butan-2-yl]-4-oxo-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 5-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-1-[(2S)-butan-2-yl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide Traditional Name: 5-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-N-allyl-4-keto-1-[(1S)-1-methylpropyl]nicotinamide Formula: C28H41N4O3+ MolecularWeight: 481.65014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C(=O)NCC=C

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4)C(=O)NCC=C

InChI

InChI=1S/C28H40N4O3/c1-4-6-29-26(34)23-17-31(19(3)5-2)18-24(25(23)33)27(35)30-7-9-32(10-8-30)28-14-20-11-21(15-28)13-22(12-20)16-28/h4,17-22H,1,5-16H2,2-3H3,(H,29,34)/p+1/t19-,20?,21?,22?,28?/m0/s1