(5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-methyl-2-phenyl-triazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-methyl-2-phenyl-4-triazolyl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-methyl-2-phenyl-triazol-4-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C20H30N6O+2 MolecularWeight: 370.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CC[NH+](CC2)CC[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CC[NH+](CC2)CC[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H28N6O/c1-17-19(22-26(21-17)18-7-3-2-4-8-18)20(27)25-15-13-24(14-16-25)12-11-23-9-5-6-10-23/h2-4,7-8H,5-6,9-16H2,1H3/p+2