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

Systemtic Name: 1-[(1S)-1-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-2-methyl-propyl]-4-prop-2-enyl-piperazin-4-ium Openeye Name: 1-allyl-4-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methyl-propyl]piperazin-1-ium CAS Name: 1-[(1S)-1-(1-cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-prop-2-enylpiperazin-4-ium IUPAC Name: 1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-prop-2-enylpiperazin-4-ium Traditional Name: 1-allyl-4-[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methyl-propyl]piperazin-1-ium Formula: C17H31N6+ MolecularWeight: 319.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=NN1C2CCCC2)N3CC[NH+](CC3)CC=C

Isomeric SMILES

CC(C)[C@@H](C1=NN=NN1C2CCCC2)N3CC[NH+](CC3)CC=C

InChI

InChI=1S/C17H30N6/c1-4-9-21-10-12-22(13-11-21)16(14(2)3)17-18-19-20-23(17)15-7-5-6-8-15/h4,14-16H,1,5-13H2,2-3H3/p+1/t16-/m0/s1