(2S)-2-(azocan-1-ium-1-yl)-N-(2-ethoxyphenyl)propanamide

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-ethoxyphenyl)propanamide Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-ethoxyphenyl)propanamide CAS Name: (2S)-2-(1-azocan-1-iumyl)-N-(2-ethoxyphenyl)propanamide IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-N-(2-ethoxyphenyl)propanamide Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-N-o-phenetyl-propionamide Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)[NH+]2CCCCCCC2

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCCCCCC2

InChI

InChI=1S/C18H28N2O2/c1-3-22-17-12-8-7-11-16(17)19-18(21)15(2)20-13-9-5-4-6-10-14-20/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3,(H,19,21)/p+1/t15-/m0/s1