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

Systemtic Name: 1-[(R)-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-4-prop-2-enyl-piperazin-4-ium Openeye Name: 1-allyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenyl-methyl]piperazin-1-ium CAS Name: 1-[(R)-(1-cyclopentyl-5-tetrazolyl)-phenylmethyl]-4-prop-2-enylpiperazin-4-ium IUPAC Name: 1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-prop-2-enylpiperazin-4-ium Traditional Name: 1-allyl-4-[(R)-(1-cyclopentyltetrazol-5-yl)-phenyl-methyl]piperazin-1-ium Formula: C20H29N6+ MolecularWeight: 353.48446

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(C2=CC=CC=C2)C3=NN=NN3C4CCCC4

Isomeric SMILES

C=CC[NH+]1CCN(CC1)[C@H](C2=CC=CC=C2)C3=NN=NN3C4CCCC4

InChI

InChI=1S/C20H28N6/c1-2-12-24-13-15-25(16-14-24)19(17-8-4-3-5-9-17)20-21-22-23-26(20)18-10-6-7-11-18/h2-5,8-9,18-19H,1,6-7,10-16H2/p+1/t19-/m1/s1