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

Systemtic Name: ethyl 3-(6-azanyl-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(6-amino-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxo-propanoate CAS Name: 3-(6-amino-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(6-amino-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-oxopropanoate Traditional Name: 3-(6-amino-2-methyl-11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-ium-5-yl)-2-keto-propionic acid ethyl ester Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CN1C2=C(C[N+]3=CC=CC3=C1N)C=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(=O)CN1C2=C(C[N+]3=CC=CC3=C1N)C=C(C=C2)C

InChI

InChI=1S/C18H19N3O3/c1-3-24-18(23)16(22)11-21-14-7-6-12(2)9-13(14)10-20-8-4-5-15(20)17(21)19/h4-9,19H,3,10-11H2,1-2H3/p+1