[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: [2-(1-azocanyl)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: [2-(azocan-1-yl)-2-keto-ethyl]-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCCCCCC2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC(=O)N2CCCCCCC2

InChI

InChI=1S/C19H29N3O2/c1-20-19(24)17-10-8-16(9-11-17)14-21(2)15-18(23)22-12-6-4-3-5-7-13-22/h8-11H,3-7,12-15H2,1-2H3,(H,20,24)/p+1