3-methylbutyl-[(2S)-2-oxidanylhex-5-enyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 3-methylbutyl-[(2S)-2-oxidanylhex-5-enyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-[(2S)-2-hydroxyhex-5-enyl]-isopentyl-ammonium CAS Name: [(2S)-2-hydroxyhex-5-enyl]-(3-methylbutyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2S)-2-hydroxyhex-5-enyl]-(3-methylbutyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-[(2S)-2-hydroxyhex-5-enyl]-isoamyl-ammonium Formula: C23H35N2O+ MolecularWeight: 355.5368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O/c1-4-5-13-23(26)19-24(16-14-20(2)3)18-22-12-9-15-25(22)17-21-10-7-6-8-11-21/h4,6-12,15,20,23,26H,1,5,13-14,16-19H2,2-3H3/p+1/t23-/m0/s1