[4-[3-(azocan-1-ium-1-yl)propanoylamino]phenyl]methylazanium

Systemtic Name: [4-[3-(azocan-1-ium-1-yl)propanoylamino]phenyl]methylazanium Openeye Name: [4-[3-(azocan-1-ium-1-yl)propanoylamino]phenyl]methylammonium CAS Name: [4-[[3-(1-azocan-1-iumyl)-1-oxopropyl]amino]phenyl]methylammonium IUPAC Name: [4-[3-(azocan-1-ium-1-yl)propanoylamino]phenyl]methylazanium Traditional Name: [4-[3-(azocan-1-ium-1-yl)propanoylamino]benzyl]ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CCC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CCC[NH+](CCC1)CCC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C17H27N3O/c18-14-15-6-8-16(9-7-15)19-17(21)10-13-20-11-4-2-1-3-5-12-20/h6-9H,1-5,10-14,18H2,(H,19,21)/p+2