3-(benzimidazol-1-yl)propyl-[(2R)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]azanium

Systemtic Name: 3-(benzimidazol-1-yl)propyl-[(2R)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]azanium Openeye Name: 3-(benzimidazol-1-yl)propyl-[(1R)-3-(2-methoxyanilino)-1-methyl-3-oxo-propyl]ammonium CAS Name: 3-(1-benzimidazolyl)propyl-[(2R)-4-(2-methoxyanilino)-4-oxobutan-2-yl]ammonium IUPAC Name: 3-(benzimidazol-1-yl)propyl-[(2R)-4-(2-methoxyanilino)-4-oxobutan-2-yl]azanium Traditional Name: 3-(benzimidazol-1-yl)propyl-[(1R)-3-keto-1-methyl-3-(o-anisidino)propyl]ammonium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1OC)[NH2+]CCCN2C=NC3=CC=CC=C32

Isomeric SMILES

C[C@H](CC(=O)NC1=CC=CC=C1OC)[NH2+]CCCN2C=NC3=CC=CC=C32

InChI

InChI=1S/C21H26N4O2/c1-16(14-21(26)24-18-9-4-6-11-20(18)27-2)22-12-7-13-25-15-23-17-8-3-5-10-19(17)25/h3-6,8-11,15-16,22H,7,12-14H2,1-2H3,(H,24,26)/p+1/t16-/m1/s1