N-(4-azanyl-2-methyl-phenyl)-3-(azocan-1-ium-1-yl)propanamide

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-3-(azocan-1-ium-1-yl)propanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-3-(azocan-1-ium-1-yl)propanamide CAS Name: N-(4-amino-2-methylphenyl)-3-(1-azocan-1-iumyl)propanamide IUPAC Name: N-(4-amino-2-methylphenyl)-3-(azocan-1-ium-1-yl)propanamide Traditional Name: N-(4-amino-2-methyl-phenyl)-3-(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)CC[NH+]2CCCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-14-13-15(18)7-8-16(14)19-17(21)9-12-20-10-5-3-2-4-6-11-20/h7-8,13H,2-6,9-12,18H2,1H3,(H,19,21)/p+1