methyl 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H22N2O2/c1-16-8-3-9-17(11-10-16)12-13-4-6-14(7-5-13)15(18)19-2/h4-7H,3,8-12H2,1-2H3/p+1