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

Systemtic Name: 4-[4-(2-thiophen-2-ylethyl)-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-[2-(2-thienyl)ethyl]-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-(2-thiophen-2-ylethyl)-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-(2-thiophen-2-ylethyl)-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-[2-(2-thienyl)ethyl]-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C17H24N3S+ MolecularWeight: 302.45756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CCC3=CC=CS3

InChI

InChI=1S/C17H23N3S/c18-15-4-6-16(7-5-15)20-10-2-9-19(12-13-20)11-8-17-3-1-14-21-17/h1,3-7,14H,2,8-13,18H2/p+1