4-[(3S)-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-yl]morpholine

Systemtic Name: 4-[(3S)-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-yl]morpholine Openeye Name: 4-[(3S)-1-[(1-isopentylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]morpholine CAS Name: 4-[(3S)-1-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-3-piperidin-1-iumyl]morpholine IUPAC Name: 4-[(3S)-1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]piperidin-1-ium-3-yl]morpholine Traditional Name: 4-[(3S)-1-[(1-isoamylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]morpholine Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)N4CCOCC4

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)N4CCOCC4

InChI

InChI=1S/C22H34N4O/c1-18(2)9-11-26-21-8-4-3-7-20(21)23-22(26)17-24-10-5-6-19(16-24)25-12-14-27-15-13-25/h3-4,7-8,18-19H,5-6,9-17H2,1-2H3/p+1/t19-/m0/s1