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

Systemtic Name: methyl-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]azanium Openeye Name: methyl-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]ammonium CAS Name: methyl-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]ammonium IUPAC Name: methyl-[[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methyl]azanium Traditional Name: methyl-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC=C(C=C1)N2CCC[NH+](CC2)C

Isomeric SMILES

C[NH2+]CC1=CC=C(C=C1)N2CCC[NH+](CC2)C

InChI

InChI=1S/C14H23N3/c1-15-12-13-4-6-14(7-5-13)17-9-3-8-16(2)10-11-17/h4-7,15H,3,8-12H2,1-2H3/p+2