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

Systemtic Name: 5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,2,4-triazin-3-amine CAS Name: 5-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,2,4-triazin-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amine Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=NC(=N2)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=NC(=N2)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c1-27-19-9-7-17(8-10-19)20-13-22-25-21(24-20)23-18-11-12-26(15-18)14-16-5-3-2-4-6-16/h2-10,13,18H,11-12,14-15H2,1H3,(H,23,24,25)/p+1/t18-/m0/s1