1-[[3,5-bis(phenylmethyl)-8-piperidin-4-yl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-3-yl]sulfonyl]urea

Systemtic Name: 1-[[3,5-bis(phenylmethyl)-8-piperidin-4-yl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-3-yl]sulfonyl]urea Openeye Name: [3,5-dibenzyl-8-(4-piperidyl)-1,2,4,5-tetrahydro-3-benzazepin-3-ium-3-yl]sulfonylurea CAS Name: [3,5-bis(phenylmethyl)-8-(4-piperidinyl)-1,2,4,5-tetrahydro-3-benzazepin-3-ium-3-yl]sulfonylurea IUPAC Name: (3,5-dibenzyl-8-piperidin-4-yl-1,2,4,5-tetrahydro-3-benzazepin-3-ium-3-yl)sulfonylurea Traditional Name: [3,5-dibenzyl-8-(4-piperidyl)-1,2,4,5-tetrahydro-3-benzazepin-3-ium-3-yl]sulfonylurea Formula: C30H37N4O3S+ MolecularWeight: 533.70478

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC3=C(C=C2)C(C[N+](CC3)(CC4=CC=CC=C4)S(=O)(=O)NC(=O)N)CC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1C2=CC3=C(C=C2)C(C[N+](CC3)(CC4=CC=CC=C4)S(=O)(=O)NC(=O)N)CC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O3S/c31-30(35)33-38(36,37)34(21-24-9-5-2-6-10-24)18-15-27-20-26(25-13-16-32-17-14-25)11-12-29(27)28(22-34)19-23-7-3-1-4-8-23/h1-12,20,25,28,32H,13-19,21-22H2,(H2-,31,33,35)/p+1