[4-methoxy-3-[(2S)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-prop-2-enyl-prop-2-ynyl-azanium

Systemtic Name: [4-methoxy-3-[(2S)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-prop-2-enyl-prop-2-ynyl-azanium Openeye Name: allyl-[[3-[(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]-prop-2-ynyl-ammonium CAS Name: [3-[(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-prop-2-enyl-prop-2-ynylammonium IUPAC Name: [3-[(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-prop-2-enyl-prop-2-ynylazanium Traditional Name: allyl-[3-[(2S)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-benzyl]-propargyl-ammonium Formula: C23H37N3O3+2 MolecularWeight: 403.55818

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=C(C=CC(=C2)C[NH+](CC=C)CC#C)OC)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@@H](COC2=C(C=CC(=C2)C[NH+](CC=C)CC#C)OC)O

InChI

InChI=1S/C23H35N3O3/c1-5-10-25(11-6-2)17-20-8-9-22(28-4)23(16-20)29-19-21(27)18-26-13-7-12-24(3)14-15-26/h1,6,8-9,16,21,27H,2,7,10-15,17-19H2,3-4H3/p+2/t21-/m0/s1