2-(4-ethylpiperazin-4-ium-1-yl)-6-propan-2-yl-quinolin-1-ium-3-carbaldehyde

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-propan-2-yl-quinolin-1-ium-3-carbaldehyde Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-isopropyl-quinolin-1-ium-3-carbaldehyde CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-propan-2-yl-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-propan-2-ylquinolin-1-ium-3-carbaldehyde Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-isopropyl-quinolin-1-ium-3-carbaldehyde Formula: C19H27N3O+2 MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C(C)C)C=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C(C)C)C=O

InChI

InChI=1S/C19H25N3O/c1-4-21-7-9-22(10-8-21)19-17(13-23)12-16-11-15(14(2)3)5-6-18(16)20-19/h5-6,11-14H,4,7-10H2,1-3H3/p+2