N-[(2R)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-3-methyl-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]adamantane-1-carboxamide Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N4O2/c1-17(2)22(23(30)29-9-7-28(8-10-29)21-3-5-26-6-4-21)27-24(31)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-6,17-20,22H,7-16H2,1-2H3,(H,27,31)/p+1/t18?,19?,20?,22-,25?/m1/s1