5-methyl-2-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-methyl-2-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: 5-methyl-2-phenyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

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