(4-methoxyphenyl)methyl-[4-(4-pyrrolidin-1-ylcarbonyl-1,2,3-triazol-1-yl)cyclohexyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[4-(4-pyrrolidin-1-ylcarbonyl-1,2,3-triazol-1-yl)cyclohexyl]azanium Openeye Name: (4-methoxyphenyl)methyl-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[4-[4-[oxo(1-pyrrolidinyl)methyl]-1-triazolyl]cyclohexyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]azanium Traditional Name: p-anisyl-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH2+]C2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH2+]C2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O2/c1-28-19-10-4-16(5-11-19)14-22-17-6-8-18(9-7-17)26-15-20(23-24-26)21(27)25-12-2-3-13-25/h4-5,10-11,15,17-18,22H,2-3,6-9,12-14H2,1H3/p+1