4-(azepan-1-ylsulfonyl)-N-(3-chloranyl-6H-benzo[b]quinolizin-5-ium-11-ylidene)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-chloranyl-6H-benzo[b]quinolizin-5-ium-11-ylidene)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-chloro-6H-benzo[b]quinolizin-5-ium-11-ylidene)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(3-chloro-6H-benzo[b]quinolizin-5-ium-11-ylidene)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-chloro-6H-benzo[b]quinolizin-5-ium-11-ylidene)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(3-chloro-6H-benzo[b]quinolizin-5-ium-11-ylidene)benzamide Formula: C26H25ClN3O3S+ MolecularWeight: 495.013

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=[N+](CC5=CC=CC=C53)C=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3C4=[N+](CC5=CC=CC=C53)C=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN3O3S/c27-21-11-14-24-25(23-8-4-3-7-20(23)17-29(24)18-21)28-26(31)19-9-12-22(13-10-19)34(32,33)30-15-5-1-2-6-16-30/h3-4,7-14,18H,1-2,5-6,15-17H2/q+1