diethyl-[(3S)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]pyrrolidin-3-yl]ammonium Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C2=NC(=CN=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C2=NC(=CN=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H25N5O/c1-4-22(5-2)15-10-11-23(13-15)18-20-17(12-19-21-18)14-6-8-16(24-3)9-7-14/h6-9,12,15H,4-5,10-11,13H2,1-3H3/p+1/t15-/m0/s1