N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=CC=C1[C@H]2CCC[NH+]2CC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4O/c1-26-8-2-5-21(26)22-6-3-9-27(22)17-23(29)28(10-4-7-25)24-14-18-11-19(15-24)13-20(12-18)16-24/h2,5,8,18-20,22H,3-4,6,9-17H2,1H3/p+1/t18?,19?,20?,22-,24?/m1/s1