[(2R)-2-azanyl-3-(1H-indol-1-ium-3-yl)propanoyl]-(3-azanylpropyl)azanium dichloride

Systemtic Name: [(2R)-2-azanyl-3-(1H-indol-1-ium-3-yl)propanoyl]-(3-azanylpropyl)azanium dichloride Openeye Name: [(2R)-2-amino-3-(1H-indol-1-ium-3-yl)propanoyl]-(3-aminopropyl)ammonium dichloride CAS Name: [(2R)-2-amino-3-(1H-indol-1-ium-3-yl)-1-oxopropyl]-(3-aminopropyl)ammonium dichloride IUPAC Name: [(2R)-2-amino-3-(1H-indol-1-ium-3-yl)propanoyl]-(3-aminopropyl)azanium dichloride Traditional Name: [(2R)-2-amino-3-(1H-indol-1-ium-3-yl)propanoyl]-(3-aminopropyl)ammonium dichloride Formula: C14H22Cl2N4O MolecularWeight: 333.25668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C[NH2+]2)CC(C(=O)[NH2+]CCCN)N.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C[NH2+]2)C[C@H](C(=O)[NH2+]CCCN)N.[Cl-].[Cl-]

InChI

InChI=1S/C14H20N4O.2ClH/c15-6-3-7-17-14(19)12(16)8-10-9-18-13-5-2-1-4-11(10)13;;/h1-2,4-5,9,12,18H,3,6-8,15-16H2,(H,17,19);2*1H/t12-;;/m1../s1