(2S)-N-(4-azanyl-2-methyl-phenyl)-2-(azocan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-azanyl-2-methyl-phenyl)-2-(azocan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-(azocan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-amino-2-methylphenyl)-2-(1-azocan-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-amino-2-methylphenyl)-2-(azocan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-(azocan-1-ium-1-yl)propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-13-12-15(18)8-9-16(13)19-17(21)14(2)20-10-6-4-3-5-7-11-20/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1