[4-[4-(azepan-1-ium-1-yl)butanoylamino]phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)CCCC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C17H27N3O/c18-14-15-7-9-16(10-8-15)19-17(21)6-5-13-20-11-3-1-2-4-12-20/h7-10H,1-6,11-14,18H2,(H,19,21)/p+2