3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[3-(4-morpholin-4-iumyl)propylamino]-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-3-methyl-1-(3-morpholin-4-ium-4-ylpropylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)NCCC[NH+]5CCOCC5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)NCCC[NH+]5CCOCC5)C#N

InChI

InChI=1S/C27H29N5O/c1-20-22(18-21-8-3-2-4-9-21)26(29-12-7-13-31-14-16-33-17-15-31)32-25-11-6-5-10-24(25)30-27(32)23(20)19-28/h2-6,8-11,29H,7,12-18H2,1H3/p+1