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

Systemtic Name: 1-[(1S)-1-(1-phenethyl-1,2,3,4-tetrazol-5-yl)propyl]-4-prop-2-enyl-piperazin-4-ium Openeye Name: 1-allyl-4-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-1-ium CAS Name: 1-[(1S)-1-(1-phenethyl-5-tetrazolyl)propyl]-4-prop-2-enylpiperazin-4-ium IUPAC Name: 1-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]-4-prop-2-enylpiperazin-4-ium Traditional Name: 1-allyl-4-[(1S)-1-(1-phenethyltetrazol-5-yl)propyl]piperazin-1-ium Formula: C19H29N6+ MolecularWeight: 341.47376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6/c1-3-11-23-13-15-24(16-14-23)18(4-2)19-20-21-22-25(19)12-10-17-8-6-5-7-9-17/h3,5-9,18H,1,4,10-16H2,2H3/p+1/t18-/m0/s1