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

Systemtic Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-1,2,3,4-tetrazol-1-ium-1-yl]-3-oxidanyl-propanoate Openeye Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyl-tetrazol-1-ium-1-yl]-3-hydroxy-propanoate CAS Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-(1-oxopentyl)-1-tetrazol-1-iumyl]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-pentanoyltetrazol-1-ium-1-yl]-3-hydroxypropanoate Traditional Name: 2-[5-[2-[4-(aminomethyl)phenyl]phenyl]-1-valeryl-tetrazol-1-ium-1-yl]-3-hydroxy-propionic acid methyl ester Formula: C23H28N5O4+ MolecularWeight: 438.49952

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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(CO)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N5O4/c1-3-4-9-21(30)28(20(15-29)23(31)32-2)22(25-26-27-28)19-8-6-5-7-18(19)17-12-10-16(14-24)11-13-17/h5-8,10-13,20,29H,3-4,9,14-15,24H2,1-2H3/q+1