ethyl 4-[(10-azanyl-9,11-diaza-7-azoniaspiro[5.5]undeca-7,10-dien-8-yl)amino]benzoate

Systemtic Name: ethyl 4-[(10-azanyl-9,11-diaza-7-azoniaspiro[5.5]undeca-7,10-dien-8-yl)amino]benzoate Openeye Name: ethyl 4-[(10-amino-9,11-diaza-7-azoniaspiro[5.5]undeca-7,10-dien-8-yl)amino]benzoate CAS Name: 4-[(10-amino-9,11-diaza-7-azoniaspiro[5.5]undeca-7,10-dien-8-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(10-amino-9,11-diaza-7-azoniaspiro[5.5]undeca-7,10-dien-8-yl)amino]benzoate Traditional Name: 4-[(10-amino-9,11-diaza-7-azoniaspiro[5.5]undeca-7,10-dien-8-yl)amino]benzoic acid ethyl ester Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=[NH+]C3(CCCCC3)N=C(N2)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=[NH+]C3(CCCCC3)N=C(N2)N

InChI

InChI=1S/C17H23N5O2/c1-2-24-14(23)12-6-8-13(9-7-12)19-16-20-15(18)21-17(22-16)10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H4,18,19,20,21,22)/p+1