ethyl 3-(6-azanyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(6-azanyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(6-amino-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxo-propanoate CAS Name: 3-(6-amino-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(6-amino-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxopropanoate Traditional Name: 3-(6-amino-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-keto-propionic acid ethyl ester Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CN1C2=CC=CC=C2C[N+]3=CC=CC3=C1N

Isomeric SMILES

CCOC(=O)C(=O)CN1C2=CC=CC=C2C[N+]3=CC=CC3=C1N

InChI

InChI=1S/C17H17N3O3/c1-2-23-17(22)15(21)11-20-13-7-4-3-6-12(13)10-19-9-5-8-14(19)16(20)18/h3-9,18H,2,10-11H2,1H3/p+1