(2S)-2-(azocan-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-(4-methylbenzyl)propionamide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCCCCCC2

InChI

InChI=1S/C18H28N2O/c1-15-8-10-17(11-9-15)14-19-18(21)16(2)20-12-6-4-3-5-7-13-20/h8-11,16H,3-7,12-14H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1