4-(1H-indol-3-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]butan-1-one Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCN(CC2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H29N3O2/c25-21(9-3-5-17-15-22-20-8-2-1-7-19(17)20)24-12-10-23(11-13-24)16-18-6-4-14-26-18/h1-2,7-8,15,18,22H,3-6,9-14,16H2/p+1/t18-/m1/s1