3-methylbutyl-[(2S)-3-methyl-2-oxidanyl-butyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 3-methylbutyl-[(2S)-3-methyl-2-oxidanyl-butyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-[(2S)-2-hydroxy-3-methyl-butyl]-isopentyl-ammonium CAS Name: [(2S)-2-hydroxy-3-methylbutyl]-(3-methylbutyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2S)-2-hydroxy-3-methylbutyl]-(3-methylbutyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-[(2S)-2-hydroxy-3-methyl-butyl]-isoamyl-ammonium Formula: C22H35N2O+ MolecularWeight: 343.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](CC1=CC=CN1CC2=CC=CC=C2)CC(C(C)C)O

Isomeric SMILES

CC(C)CC[NH+](CC1=CC=CN1CC2=CC=CC=C2)C[C@H](C(C)C)O

InChI

InChI=1S/C22H34N2O/c1-18(2)12-14-23(17-22(25)19(3)4)16-21-11-8-13-24(21)15-20-9-6-5-7-10-20/h5-11,13,18-19,22,25H,12,14-17H2,1-4H3/p+1/t22-/m1/s1