cycloheptyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: cycloheptyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: cycloheptyl-[(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: cycloheptyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: cycloheptyl-[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-cycloheptyl-ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH2+]C2CCCCCC2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[NH2+]C2CCCCCC2

InChI

InChI=1S/C18H28N2O3/c1-11-15(18(22)23-4)12(2)20-16(11)17(21)13(3)19-14-9-7-5-6-8-10-14/h13-14,19-20H,5-10H2,1-4H3/p+1/t13-/m0/s1