1-[(S)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[(S)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2-thienyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(S)-(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(S)-(1-cyclohexyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2-thienyl)methyl]-4-phenyl-piperazin-1-ium Formula: C22H29N6S+ MolecularWeight: 409.57086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)C(C3=CC=CS3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)[C@@H](C3=CC=CS3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H28N6S/c1-3-8-18(9-4-1)26-13-15-27(16-14-26)21(20-12-7-17-29-20)22-23-24-25-28(22)19-10-5-2-6-11-19/h1,3-4,7-9,12,17,19,21H,2,5-6,10-11,13-16H2/p+1/t21-/m1/s1