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

Systemtic Name: (diphenylmethyl)-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: benzhydryl-[(1S)-2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (diphenylmethyl)-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: benzhydryl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]azanium Traditional Name: benzhydryl-[(1S)-2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]ammonium Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH2+]C(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O3/c1-5-30-25(29)21-16(2)22(26-17(21)3)24(28)18(4)27-23(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,23,26-27H,5H2,1-4H3/p+1/t18-/m0/s1