N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-(8-methoxy-5H-pyrimid[5,4-b]indol-4-yl)amine Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=NC=NC3=C2NC4=C3C=C(C=C4)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=NC=NC3=C2NC4=C3C=C(C=C4)OC

InChI

InChI=1S/C18H23N5O/c1-3-23-8-4-5-12(23)10-19-18-17-16(20-11-21-18)14-9-13(24-2)6-7-15(14)22-17/h6-7,9,11-12,22H,3-5,8,10H2,1-2H3,(H,19,20,21)/p+1/t12-/m0/s1