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

Systemtic Name: 4-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-(3-phenylpropyl)-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H27N3/c21-19-9-11-20(12-10-19)23-15-5-14-22(16-17-23)13-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-17,21H2/p+1