(4-bromanyl-3-methyl-phenyl)-[(2S)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (4-bromanyl-3-methyl-phenyl)-[(2S)-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-bromo-3-methyl-phenyl)-[(1S)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]ammonium CAS Name: (4-bromo-3-methylphenyl)-[(2S)-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxopropan-2-yl]ammonium IUPAC Name: (4-bromo-3-methylphenyl)-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]azanium Traditional Name: (4-bromo-3-methyl-phenyl)-[(1S)-2-[4-(2-furoyl)piperazino]-2-keto-1-methyl-ethyl]ammonium Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[NH2+]C(C)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)[NH2+][C@@H](C)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)Br

InChI

InChI=1S/C19H22BrN3O3/c1-13-12-15(5-6-16(13)20)21-14(2)18(24)22-7-9-23(10-8-22)19(25)17-4-3-11-26-17/h3-6,11-12,14,21H,7-10H2,1-2H3/p+1/t14-/m0/s1