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

Systemtic Name: 4-[4-(2,2-dimethylpropyl)-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-(2,2-dimethylpropyl)-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-(2,2-dimethylpropyl)-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-(2,2-dimethylpropyl)-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-(4-neopentyl-1,4-diazepan-4-ium-1-yl)phenyl]amine Formula: C16H28N3+ MolecularWeight: 262.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCCN(CC1)C2=CC=C(C=C2)N

Isomeric SMILES

CC(C)(C)C[NH+]1CCCN(CC1)C2=CC=C(C=C2)N

InChI

InChI=1S/C16H27N3/c1-16(2,3)13-18-9-4-10-19(12-11-18)15-7-5-14(17)6-8-15/h5-8H,4,9-13,17H2,1-3H3/p+1