[3-[[(2S)-2-(azocan-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium

Systemtic Name: [3-[[(2S)-2-(azocan-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Openeye Name: [3-[[(2S)-2-(azocan-1-ium-1-yl)propanoyl]amino]phenyl]methylammonium CAS Name: [3-[[(2S)-2-(1-azocan-1-iumyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [3-[[(2S)-2-(azocan-1-ium-1-yl)propanoyl]amino]phenyl]methylazanium Traditional Name: [3-[[(2S)-2-(azocan-1-ium-1-yl)propanoyl]amino]benzyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C[NH3+])[NH+]2CCCCCCC2

InChI

InChI=1S/C17H27N3O/c1-14(20-10-5-3-2-4-6-11-20)17(21)19-16-9-7-8-15(12-16)13-18/h7-9,12,14H,2-6,10-11,13,18H2,1H3,(H,19,21)/p+2/t14-/m0/s1