3-[2,2-bis(azanyl)ethyl]-1H-indole-7-carboxylic acid hydrate

Systemtic Name: 3-[2,2-bis(azanyl)ethyl]-1H-indole-7-carboxylic acid hydrate Openeye Name: 3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acid hydrate CAS Name: 3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acid hydrate IUPAC Name: 3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acid hydrate Traditional Name: 3-(2,2-diaminoethyl)-1H-indole-7-carboxylic acid hydrate Formula: C11H15N3O3 MolecularWeight: 237.2551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)O)NC=C2CC(N)N.O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)O)NC=C2CC(N)N.O

InChI

InChI=1S/C11H13N3O2.H2O/c12-9(13)4-6-5-14-10-7(6)2-1-3-8(10)11(15)16;/h1-3,5,9,14H,4,12-13H2,(H,15,16);1H2