8-methyl-N-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: 8-methyl-N-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: 8-methyl-N-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine CAS Name: 8-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: 8-methyl-N-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: (8-methyl-5H-pyrimid[5,4-b]indol-4-yl)-(2-piperidin-1-ium-1-ylethyl)amine Formula: C18H24N5+ MolecularWeight: 310.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3NCC[NH+]4CCCCC4

InChI

InChI=1S/C18H23N5/c1-13-5-6-15-14(11-13)16-17(22-15)18(21-12-20-16)19-7-10-23-8-3-2-4-9-23/h5-6,11-12,22H,2-4,7-10H2,1H3,(H,19,20,21)/p+1