(2R)-2-(6-azaniumylhexylazaniumyl)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(3-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(3-chloro-2-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(3-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-(3-chloro-2-methyl-anilino)-4-keto-butyrate Formula: C17H27ClN3O3+ MolecularWeight: 356.86758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCCCC[NH3+]

InChI

InChI=1S/C17H26ClN3O3/c1-12-13(18)7-6-8-14(12)21-16(22)11-15(17(23)24)20-10-5-3-2-4-9-19/h6-8,15,20H,2-5,9-11,19H2,1H3,(H,21,22)(H,23,24)/p+1/t15-/m1/s1