1-[5-(azepan-1-ylmethyl)thiophen-2-yl]propan-2-yl-ethyl-phenyl-propyl-azanium

Systemtic Name: 1-[5-(azepan-1-ylmethyl)thiophen-2-yl]propan-2-yl-ethyl-phenyl-propyl-azanium Openeye Name: [2-[5-(azepan-1-ylmethyl)-2-thienyl]-1-methyl-ethyl]-ethyl-phenyl-propyl-ammonium CAS Name: 1-[5-(1-azepanylmethyl)-2-thiophenyl]propan-2-yl-ethyl-phenyl-propylammonium IUPAC Name: 1-[5-(azepan-1-ylmethyl)thiophen-2-yl]propan-2-yl-ethyl-phenyl-propylazanium Traditional Name: [2-[5-(azepan-1-ylmethyl)-2-thienyl]-1-methyl-ethyl]-ethyl-phenyl-propyl-ammonium Formula: C25H39N2S+ MolecularWeight: 399.65556

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC)(C1=CC=CC=C1)C(C)CC2=CC=C(S2)CN3CCCCCC3

Isomeric SMILES

CCC[N+](CC)(C1=CC=CC=C1)C(C)CC2=CC=C(S2)CN3CCCCCC3

InChI

InChI=1S/C25H39N2S/c1-4-19-27(5-2,23-13-9-8-10-14-23)22(3)20-24-15-16-25(28-24)21-26-17-11-6-7-12-18-26/h8-10,13-16,22H,4-7,11-12,17-21H2,1-3H3/q+1