5-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,2,4-triazin-3-amine

Systemtic Name: 5-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,2,4-triazin-3-amine Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-phenyl-1,2,4-triazin-3-amine CAS Name: 5-phenyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1,2,4-triazin-3-amine IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-phenyl-1,2,4-triazin-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(5-phenyl-1,2,4-triazin-3-yl)amine Formula: C20H22N5+ MolecularWeight: 332.42218

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=NC(=CN=N2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC2=NC(=CN=N2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5/c1-3-7-16(8-4-1)14-25-12-11-18(15-25)22-20-23-19(13-21-24-20)17-9-5-2-6-10-17/h1-10,13,18H,11-12,14-15H2,(H,22,23,24)/p+1/t18-/m0/s1