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

Systemtic Name: 4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-[1-(1-azepan-1-iumylmethyl)-3-indolyl]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-[1-(azepan-1-ium-1-ylmethyl)indol-3-yl]-1-pyrrolidino-butan-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)CCCC(=O)N4CCCC4

Isomeric SMILES

C1CCC[NH+](CC1)CN2C=C(C3=CC=CC=C32)CCCC(=O)N4CCCC4

InChI

InChI=1S/C23H33N3O/c27-23(25-16-7-8-17-25)13-9-10-20-18-26(22-12-4-3-11-21(20)22)19-24-14-5-1-2-6-15-24/h3-4,11-12,18H,1-2,5-10,13-17,19H2/p+1