(4-azanyl-3-oxidanyl-phenyl)-[1-(3-azanylpropyl)pyrrolidin-1-ium-1-yl]methanone

Systemtic Name: (4-azanyl-3-oxidanyl-phenyl)-[1-(3-azanylpropyl)pyrrolidin-1-ium-1-yl]methanone Openeye Name: (4-amino-3-hydroxy-phenyl)-[1-(3-aminopropyl)pyrrolidin-1-ium-1-yl]methanone CAS Name: (4-amino-3-hydroxyphenyl)-[1-(3-aminopropyl)-1-pyrrolidin-1-iumyl]methanone IUPAC Name: (4-amino-3-hydroxyphenyl)-[1-(3-aminopropyl)pyrrolidin-1-ium-1-yl]methanone Traditional Name: (4-amino-3-hydroxy-phenyl)-[1-(3-aminopropyl)pyrrolidin-1-ium-1-yl]methanone Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CCCN)C(=O)C2=CC(=C(C=C2)N)O

Isomeric SMILES

C1CC[N+](C1)(CCCN)C(=O)C2=CC(=C(C=C2)N)O

InChI

InChI=1S/C14H21N3O2/c15-6-3-9-17(7-1-2-8-17)14(19)11-4-5-12(16)13(18)10-11/h4-5,10H,1-3,6-9,15H2,(H2-,16,18,19)/p+1