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

Systemtic Name: 4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-(2-thienylmethyl)-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-(2-thenyl)-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=CC=C(C=C2)N)CC3=CC=CS3

InChI

InChI=1S/C16H21N3S/c17-14-4-6-15(7-5-14)19-9-2-8-18(10-11-19)13-16-3-1-12-20-16/h1,3-7,12H,2,8-11,13,17H2/p+1