1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C18H21N5OS/c24-18-22(19-20-23(18)17-7-4-12-25-17)14-21-10-8-16(9-11-21)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2/p+1