[(2S)-1-[(3R)-4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3R)-4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[(3R)-4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[(3R)-4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(3R)-4-(cyclopropanecarbonyl)-3-methyl-piperazino]-2-keto-ethyl]ammonium Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C(=O)C(CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)C2CC2)C(=O)[C@H](CC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C18H25N3O2/c1-13-12-20(9-10-21(13)17(22)15-7-8-15)18(23)16(19)11-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,19H2,1H3/p+1/t13-,16+/m1/s1