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

Systemtic Name: 4-[4-[(2S)-butan-2-yl]-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-[(1S)-1-methylpropyl]-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-[(2S)-butan-2-yl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-[(2S)-butan-2-yl]-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-[(1S)-1-methylpropyl]-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C15H26N3+ MolecularWeight: 248.38704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3/c1-3-13(2)17-9-4-10-18(12-11-17)15-7-5-14(16)6-8-15/h5-8,13H,3-4,9-12,16H2,1-2H3/p+1/t13-/m0/s1