4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-[1-(1-piperidin-1-iumylmethyl)-3-indolyl]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidino-butan-1-one Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C=C(C3=CC=CC=C32)CCCC(=O)N4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CN2C=C(C3=CC=CC=C32)CCCC(=O)N4CCCC4

InChI

InChI=1S/C22H31N3O/c26-22(24-15-6-7-16-24)12-8-9-19-17-25(18-23-13-4-1-5-14-23)21-11-3-2-10-20(19)21/h2-3,10-11,17H,1,4-9,12-16,18H2/p+1