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

Systemtic Name: 4-[4-(2-ethylbutyl)-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-(2-ethylbutyl)-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-(2-ethylbutyl)-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-(2-ethylbutyl)-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-(2-ethylbutyl)-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C17H30N3+ MolecularWeight: 276.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-3-15(4-2)14-19-10-5-11-20(13-12-19)17-8-6-16(18)7-9-17/h6-9,15H,3-5,10-14,18H2,1-2H3/p+1