3,7-dimethyl-2-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]-1H-indole

Systemtic Name: 3,7-dimethyl-2-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]-1H-indole Openeye Name: 3,7-dimethyl-2-[[(3S)-3-pyrrolidin-1-ium-1-yl-1-piperidyl]methyl]-1H-indole CAS Name: 3,7-dimethyl-2-[[(3S)-3-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methyl]-1H-indole IUPAC Name: 3,7-dimethyl-2-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidin-1-yl]methyl]-1H-indole Traditional Name: 3,7-dimethyl-2-[[(3S)-3-pyrrolidin-1-ium-1-ylpiperidino]methyl]-1H-indole Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C2C)CN3CCCC(C3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC2=C1NC(=C2C)CN3CCC[C@@H](C3)[NH+]4CCCC4

InChI

InChI=1S/C20H29N3/c1-15-7-5-9-18-16(2)19(21-20(15)18)14-22-10-6-8-17(13-22)23-11-3-4-12-23/h5,7,9,17,21H,3-4,6,8,10-14H2,1-2H3/p+1/t17-/m0/s1