1-[3-(diethylamino)propylamino]-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[3-(diethylamino)propylamino]-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-allyl-1-[3-(diethylamino)propylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[3-(diethylamino)propylamino]-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[3-(diethylamino)propylamino]-3-methyl-2-prop-2-enyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-allyl-1-[3-(diethylamino)propylamino]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC=C

Isomeric SMILES

CCN(CC)CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC=C

InChI

InChI=1S/C23H29N5/c1-5-11-18-17(4)19(16-24)23-26-20-12-8-9-13-21(20)28(23)22(18)25-14-10-15-27(6-2)7-3/h5,8-9,12-13H,1,6-7,10-11,14-15H2,2-4H3,(H,25,26)/p+1