1-[[4-(diethylamino)phenyl]methyl]-4-hexyl-1-oxidanidyl-piperazin-1-ium-2-one

Systemtic Name: 1-[[4-(diethylamino)phenyl]methyl]-4-hexyl-1-oxidanidyl-piperazin-1-ium-2-one Openeye Name: 1-[[4-(diethylamino)phenyl]methyl]-4-hexyl-1-oxido-piperazin-1-ium-2-one CAS Name: 1-[[4-(diethylamino)phenyl]methyl]-4-hexyl-1-oxido-2-piperazin-1-iumone IUPAC Name: 1-[[4-(diethylamino)phenyl]methyl]-4-hexyl-1-oxidopiperazin-1-ium-2-one Traditional Name: 1-[4-(diethylamino)benzyl]-4-hexyl-1-oxido-piperazin-1-ium-2-one Formula: C21H35N3O2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC[N+](C(=O)C1)(CC2=CC=C(C=C2)N(CC)CC)[O-]

Isomeric SMILES

CCCCCCN1CC[N+](C(=O)C1)(CC2=CC=C(C=C2)N(CC)CC)[O-]

InChI

InChI=1S/C21H35N3O2/c1-4-7-8-9-14-22-15-16-24(26,21(25)17-22)18-19-10-12-20(13-11-19)23(5-2)6-3/h10-13H,4-9,14-18H2,1-3H3