1-[(R)-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-thiophen-2-yl-methyl]azepan-1-ium

Systemtic Name: 1-[(R)-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-thiophen-2-yl-methyl]azepan-1-ium Openeye Name: 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(2-thienyl)methyl]azepan-1-ium CAS Name: 1-[(R)-[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]-thiophen-2-ylmethyl]azepan-1-ium IUPAC Name: 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]azepan-1-ium Traditional Name: 1-[(R)-(1-p-anisyltetrazol-5-yl)-(2-thienyl)methyl]azepan-1-ium Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=NN=N2)C(C3=CC=CS3)[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NN=N2)[C@H](C3=CC=CS3)[NH+]4CCCCCC4

InChI

InChI=1S/C20H25N5OS/c1-26-17-10-8-16(9-11-17)15-25-20(21-22-23-25)19(18-7-6-14-27-18)24-12-4-2-3-5-13-24/h6-11,14,19H,2-5,12-13,15H2,1H3/p+1/t19-/m0/s1