3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-(1-piperidyl)propan-1-one CAS Name: 3-[1-(1-azepan-1-iumylmethyl)-3-indolyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-piperidino-propan-1-one Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C=C(C3=CC=CC=C32)CCC(=O)N4CCCCC4

Isomeric SMILES

C1CCC[NH+](CC1)CN2C=C(C3=CC=CC=C32)CCC(=O)N4CCCCC4

InChI

InChI=1S/C23H33N3O/c27-23(25-16-8-3-9-17-25)13-12-20-18-26(22-11-5-4-10-21(20)22)19-24-14-6-1-2-7-15-24/h4-5,10-11,18H,1-3,6-9,12-17,19H2/p+1