2-(azocan-1-ium-1-yl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H33N3O2/c25-21(18-23-10-4-2-1-3-5-11-23)22-16-19-6-8-20(9-7-19)17-24-12-14-26-15-13-24/h6-9H,1-5,10-18H2,(H,22,25)/p+2