N-[(1S)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]-4-chloranyl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxidanylidene-ethyl]-4-chloranyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxo-ethyl]-4-chloro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-[2-(4-morpholin-4-iumyl)ethylamino]-2-oxoethyl]-4-chlorobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(2-morpholin-4-ium-4-ylethylamino)-2-oxoethyl]-4-chlorobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(2-morpholin-4-ium-4-ylethylamino)ethyl]-4-chloro-benzamide Formula: C25H35ClN3O3+ MolecularWeight: 461.0167

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C(C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)[C@H](C23CC4CC(C2)CC(C4)C3)NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H34ClN3O3/c26-21-3-1-20(2-4-21)23(30)28-22(24(31)27-5-6-29-7-9-32-10-8-29)25-14-17-11-18(15-25)13-19(12-17)16-25/h1-4,17-19,22H,5-16H2,(H,27,31)(H,28,30)/p+1/t17?,18?,19?,22-,25?/m1/s1