1-methyl-4-[(1S)-2-methyl-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[(1S)-2-methyl-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]piperazin-1-ium Openeye Name: 1-methyl-4-[(1S)-2-methyl-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-1-ium CAS Name: 1-methyl-4-[(1S)-2-methyl-1-(1-phenethyl-5-tetrazolyl)propyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(1S)-2-methyl-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-1-ium Traditional Name: 1-methyl-4-[(1S)-2-methyl-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-1-ium Formula: C18H29N6+ MolecularWeight: 329.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=NN1CCC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)[C@@H](C1=NN=NN1CCC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N6/c1-15(2)17(23-13-11-22(3)12-14-23)18-19-20-21-24(18)10-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3/p+1/t17-/m0/s1