3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one

Systemtic Name: 3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one CAS Name: 3-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone IUPAC Name: 3-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one Formula: C26H35N2O+ MolecularWeight: 391.5689

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)CCC(=O)C2=CC3=C(CCCCN3)C=C2)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(CC1)CCC(=O)C2=CC3=C(CCCCN3)C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N2O/c1-28(20-22-7-3-2-4-8-22)17-14-21(15-18-28)10-13-26(29)24-12-11-23-9-5-6-16-27-25(23)19-24/h2-4,7-8,11-12,19,21,27H,5-6,9-10,13-18,20H2,1H3/q+1