cyclohexyl-[(2S)-2-oxidanyl-3-prop-2-ynoxy-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: cyclohexyl-[(2S)-2-oxidanyl-3-prop-2-ynoxy-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-prop-2-ynoxypropyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(2S)-2-hydroxy-3-prop-2-ynoxypropyl]azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-cyclohexyl-[(2S)-2-hydroxy-3-propargyloxy-propyl]ammonium Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(C[NH+](CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)O

Isomeric SMILES

C#CCOC[C@H](C[NH+](CC1=CC=CN1CC2=CC=CC=C2)C3CCCCC3)O

InChI

InChI=1S/C24H32N2O2/c1-2-16-28-20-24(27)19-26(22-12-7-4-8-13-22)18-23-14-9-15-25(23)17-21-10-5-3-6-11-21/h1,3,5-6,9-11,14-15,22,24,27H,4,7-8,12-13,16-20H2/p+1/t24-/m0/s1