3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline Openeye Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline CAS Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]aniline Traditional Name: [3-[(4-methyl-1,4-diazepan-1-ium-1-yl)methyl]phenyl]amine Formula: C13H22N3+ MolecularWeight: 220.33388

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)N

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)N

InChI

InChI=1S/C13H21N3/c1-15-6-3-7-16(9-8-15)11-12-4-2-5-13(14)10-12/h2,4-5,10H,3,6-9,11,14H2,1H3/p+1