3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-9-ethyl-carbazole

Systemtic Name: 3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-9-ethyl-carbazole Openeye Name: 3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-9-ethyl-carbazole CAS Name: 3-[[4-(1-azepan-1-iumyl)-1-piperidin-1-iumyl]methyl]-9-ethylcarbazole IUPAC Name: 3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-9-ethylcarbazole Traditional Name: 3-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-9-ethyl-carbazole Formula: C26H37N3+2 MolecularWeight: 391.59208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCC(CC3)[NH+]4CCCCCC4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCC(CC3)[NH+]4CCCCCC4)C5=CC=CC=C51

InChI

InChI=1S/C26H35N3/c1-2-29-25-10-6-5-9-23(25)24-19-21(11-12-26(24)29)20-27-17-13-22(14-18-27)28-15-7-3-4-8-16-28/h5-6,9-12,19,22H,2-4,7-8,13-18,20H2,1H3/p+2