cyclohexyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]azanium

Systemtic Name: cyclohexyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]azanium Openeye Name: cyclohexyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]ammonium CAS Name: cyclohexyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]ammonium IUPAC Name: cyclohexyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]azanium Traditional Name: (5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-cyclohexyl-ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C[NH2+]C2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C[NH2+]C2CCCCC2)C

InChI

InChI=1S/C16H26N2O2/c1-4-20-16(19)15-11(2)14(12(3)18-15)10-17-13-8-6-5-7-9-13/h13,17-18H,4-10H2,1-3H3/p+1