6-chloranyl-4-(dimethylamino)-1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-c]pyridin-5-ium-7-carbonitrile

Systemtic Name: 6-chloranyl-4-(dimethylamino)-1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-c]pyridin-5-ium-7-carbonitrile Openeye Name: 1-benzyl-6-chloro-4-(dimethylamino)-2,3-dihydropyrrolo[3,2-c]pyridin-5-ium-7-carbonitrile CAS Name: 6-chloro-4-(dimethylamino)-1-(phenylmethyl)-2,3-dihydropyrrolo[3,2-c]pyridin-5-ium-7-carbonitrile IUPAC Name: 1-benzyl-6-chloro-4-(dimethylamino)-2,3-dihydropyrrolo[3,2-c]pyridin-5-ium-7-carbonitrile Traditional Name: 1-benzyl-6-chloro-4-(dimethylamino)-2,3-dihydropyrrolo[3,2-c]pyridin-5-ium-7-carbonitrile Formula: C17H18ClN4+ MolecularWeight: 313.80462

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2CCN(C2=C(C(=[NH+]1)Cl)C#N)CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=C2CCN(C2=C(C(=[NH+]1)Cl)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H17ClN4/c1-21(2)17-13-8-9-22(11-12-6-4-3-5-7-12)15(13)14(10-19)16(18)20-17/h3-7H,8-9,11H2,1-2H3/p+1