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

Systemtic Name: 1-(azepan-1-yl)-4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]butan-1-one CAS Name: 1-(1-azepanyl)-4-[1-(1-piperidin-1-iumylmethyl)-3-indolyl]-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]butan-1-one Traditional Name: 1-(azepan-1-yl)-4-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]butan-1-one Formula: C24H36N3O+ MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)C[NH+]4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CCCC2=CN(C3=CC=CC=C32)C[NH+]4CCCCC4

InChI

InChI=1S/C24H35N3O/c28-24(26-17-8-1-2-9-18-26)14-10-11-21-19-27(20-25-15-6-3-7-16-25)23-13-5-4-12-22(21)23/h4-5,12-13,19H,1-3,6-11,14-18,20H2/p+1