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

Systemtic Name: 4-azanylbutyl-[(2R)-2-azanyl-3-(1H-indol-1-ium-3-yl)propanoyl]azanium dichloride Openeye Name: 4-aminobutyl-[(2R)-2-amino-3-(1H-indol-1-ium-3-yl)propanoyl]ammonium dichloride CAS Name: 4-aminobutyl-[(2R)-2-amino-3-(1H-indol-1-ium-3-yl)-1-oxopropyl]ammonium dichloride IUPAC Name: 4-aminobutyl-[(2R)-2-amino-3-(1H-indol-1-ium-3-yl)propanoyl]azanium dichloride Traditional Name: 4-aminobutyl-[(2R)-2-amino-3-(1H-indol-1-ium-3-yl)propanoyl]ammonium dichloride Formula: C15H24Cl2N4O MolecularWeight: 347.28326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O.2ClH/c16-7-3-4-8-18-15(20)13(17)9-11-10-19-14-6-2-1-5-12(11)14;;/h1-2,5-6,10,13,19H,3-4,7-9,16-17H2,(H,18,20);2*1H/t13-;;/m1../s1