2-methyl-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline

Systemtic Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline Openeye Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline CAS Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline IUPAC Name: 2-methyl-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline Traditional Name: [2-methyl-5-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]amine Formula: C14H24N3+ MolecularWeight: 234.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCCN(CC2)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCCN(CC2)C)N

InChI

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