3-[1-(phenylmethyl)piperidin-4-yl]-1-(1,1,5-trimethylindol-1-ium-3-yl)propan-1-one

Systemtic Name: 3-[1-(phenylmethyl)piperidin-4-yl]-1-(1,1,5-trimethylindol-1-ium-3-yl)propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(1,1,5-trimethylindol-1-ium-3-yl)propan-1-one CAS Name: 3-[1-(phenylmethyl)-4-piperidinyl]-1-(1,1,5-trimethyl-3-indol-1-iumyl)-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(1,1,5-trimethylindol-1-ium-3-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(1,1,5-trimethylindol-1-ium-3-yl)propan-1-one Formula: C26H33N2O+ MolecularWeight: 389.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](C=C2C(=O)CCC3CCN(CC3)CC4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](C=C2C(=O)CCC3CCN(CC3)CC4=CC=CC=C4)(C)C

InChI

InChI=1S/C26H33N2O/c1-20-9-11-25-23(17-20)24(19-28(25,2)3)26(29)12-10-21-13-15-27(16-14-21)18-22-7-5-4-6-8-22/h4-9,11,17,19,21H,10,12-16,18H2,1-3H3/q+1