N-[1-(cyclohepten-1-ylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-(2-phenethyloxyphenyl)propanimidate

Systemtic Name: N-[1-(cyclohepten-1-ylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-(2-phenethyloxyphenyl)propanimidate Openeye Name: N-[1-(cyclohepten-1-ylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-(2-phenethyloxyphenyl)propanimidate CAS Name: N-[1-(1-cycloheptenylmethyl)-1-methyl-4-piperidin-1-iumyl]-3-(2-phenethyloxyphenyl)propanimidate IUPAC Name: N-[1-(cyclohepten-1-ylmethyl)-1-methylpiperidin-1-ium-4-yl]-3-(2-phenethyloxyphenyl)propanimidate Traditional Name: N-[1-(cyclohepten-1-ylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-(2-phenethyloxyphenyl)propionimidate Formula: C31H42N2O2 MolecularWeight: 474.67738

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)N=C(CCC2=CC=CC=C2OCCC3=CC=CC=C3)[O-])CC4=CCCCCC4

Isomeric SMILES

C[N+]1(CCC(CC1)N=C(CCC2=CC=CC=C2OCCC3=CC=CC=C3)[O-])CC4=CCCCCC4

InChI

InChI=1S/C31H42N2O2/c1-33(25-27-13-5-2-3-6-14-27)22-19-29(20-23-33)32-31(34)18-17-28-15-9-10-16-30(28)35-24-21-26-11-7-4-8-12-26/h4,7-13,15-16,29H,2-3,5-6,14,17-25H2,1H3