benzotriazol-1-ylmethyl-[(2S)-4-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: benzotriazol-1-ylmethyl-[(2S)-4-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: benzotriazol-1-ylmethyl-[(1S)-3-methyl-1-(p-tolylcarbamoyl)butyl]ammonium CAS Name: 1-benzotriazolylmethyl-[(2S)-4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]ammonium IUPAC Name: benzotriazol-1-ylmethyl-[(2S)-4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]azanium Traditional Name: benzotriazol-1-ylmethyl-[(1S)-3-methyl-1-(p-tolylcarbamoyl)butyl]ammonium Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CC(C)C)[NH2+]CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CC(C)C)[NH2+]CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H25N5O/c1-14(2)12-18(20(26)22-16-10-8-15(3)9-11-16)21-13-25-19-7-5-4-6-17(19)23-24-25/h4-11,14,18,21H,12-13H2,1-3H3,(H,22,26)/p+1/t18-/m0/s1