1-indol-1-yl-4-(propan-2-ylamino)-4-pyridazin-3-yl-piperazin-4-ium-2-carbaldehyde

Systemtic Name: 1-indol-1-yl-4-(propan-2-ylamino)-4-pyridazin-3-yl-piperazin-4-ium-2-carbaldehyde Openeye Name: 1-indol-1-yl-4-(isopropylamino)-4-pyridazin-3-yl-piperazin-4-ium-2-carbaldehyde CAS Name: 1-(1-indolyl)-4-(propan-2-ylamino)-4-(3-pyridazinyl)-2-piperazin-4-iumcarboxaldehyde IUPAC Name: 1-indol-1-yl-4-(propan-2-ylamino)-4-pyridazin-3-ylpiperazin-4-ium-2-carbaldehyde Traditional Name: 1-indol-1-yl-4-(isopropylamino)-4-pyridazin-3-yl-piperazin-4-ium-2-carbaldehyde Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N[N+]1(CCN(C(C1)C=O)N2C=CC3=CC=CC=C32)C4=NN=CC=C4

Isomeric SMILES

CC(C)N[N+]1(CCN(C(C1)C=O)N2C=CC3=CC=CC=C32)C4=NN=CC=C4

InChI

InChI=1S/C20H25N6O/c1-16(2)23-26(20-8-5-10-21-22-20)13-12-24(18(14-26)15-27)25-11-9-17-6-3-4-7-19(17)25/h3-11,15-16,18,23H,12-14H2,1-2H3/q+1