(3S,4S)-1-[(3-methyl-1H-indol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(3-methyl-1H-indol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(3-methyl-1H-indol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(3-methyl-1H-indol-2-yl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(3-methyl-1H-indol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-[(3-methyl-1H-indol-2-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C23H31N5O+2 MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C12)C[NH+]3CC(C(C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3C[C@@H]([C@H](C3)O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H29N5O/c1-17-18-6-2-3-7-19(18)25-20(17)14-26-15-21(22(29)16-26)27-10-12-28(13-11-27)23-8-4-5-9-24-23/h2-9,21-22,25,29H,10-16H2,1H3/p+2/t21-,22-/m0/s1