methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-3-oxidanyl-butanoate

Systemtic Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-3-oxidanyl-butanoate Openeye Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-3-hydroxy-butanoate CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-3-hydroxybutanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-3-hydroxybutanoate Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-3-hydroxy-butyric acid methyl ester Formula: C24H30N5O4+ MolecularWeight: 452.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C(C(C)O)C(=O)OC

Isomeric SMILES

CCCCC(=O)[N+]1(C(=NN=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN)C(C(C)O)C(=O)OC

InChI

InChI=1S/C24H30N5O4/c1-4-5-10-21(31)29(22(16(2)30)24(32)33-3)23(26-27-28-29)20-9-7-6-8-19(20)18-13-11-17(15-25)12-14-18/h6-9,11-14,16,22,30H,4-5,10,15,25H2,1-3H3/q+1