2-[4-(azulen-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-(azulen-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-(azulen-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-(1-azulenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-(azulen-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(azulen-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Formula: C19H21N4+ MolecularWeight: 305.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC=CC=C3C=C2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC=CC=C3C=C2)C4=NC=CC=N4

InChI

InChI=1S/C19H20N4/c1-2-5-16-7-8-17(18(16)6-3-1)15-22-11-13-23(14-12-22)19-20-9-4-10-21-19/h1-10H,11-15H2/p+1