N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]benzamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]benzamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-4-[(5-phenyl-2-tetrazolyl)methyl]benzamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide Formula: C21H24N7O+ MolecularWeight: 390.46156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)CN3N=C(N=N3)C4=CC=CC=C4)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)CN3N=C(N=N3)C4=CC=CC=C4)CC1

InChI

InChI=1S/C21H23N7O/c1-27-13-11-19(12-14-27)22-24-21(29)18-9-7-16(8-10-18)15-28-25-20(23-26-28)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,24,29)/p+1