2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H26N5O3S+ MolecularWeight: 392.49574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C18H25N5O3S/c24-18-15-17(19-16-7-3-6-10-23(16)18)20-11-13-22(14-12-20)27(25,26)21-8-4-1-2-5-9-21/h3,6-7,10,15H,1-2,4-5,8-9,11-14H2/p+1