(2S)-2-methyl-1-(4-piperazin-4-ium-1-ylbutyl)-2,3-dihydroindole

Systemtic Name: (2S)-2-methyl-1-(4-piperazin-4-ium-1-ylbutyl)-2,3-dihydroindole Openeye Name: (2S)-2-methyl-1-(4-piperazin-4-ium-1-ylbutyl)indoline CAS Name: (2S)-2-methyl-1-[4-(1-piperazin-4-iumyl)butyl]-2,3-dihydroindole IUPAC Name: (2S)-2-methyl-1-(4-piperazin-4-ium-1-ylbutyl)-2,3-dihydroindole Traditional Name: (2S)-2-methyl-1-(4-piperazin-4-ium-1-ylbutyl)indoline Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1CCCCN3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1CCCCN3CC[NH2+]CC3

InChI

InChI=1S/C17H27N3/c1-15-14-16-6-2-3-7-17(16)20(15)11-5-4-10-19-12-8-18-9-13-19/h2-3,6-7,15,18H,4-5,8-14H2,1H3/p+1/t15-/m0/s1