[3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-diethylaminoethyl)-ethyl-azanium

Systemtic Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-diethylaminoethyl)-ethyl-azanium Openeye Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(2-diethylaminoethyl)-ethyl-ammonium CAS Name: [3-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-(2-diethylaminoethyl)-ethylammonium IUPAC Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(2-diethylaminoethyl)-ethylazanium Traditional Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-(2-diethylaminoethyl)-ethyl-ammonium Formula: C24H45N3O2+2 MolecularWeight: 407.633

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN(CC)CC)CC1=CC(=CC=C1)OCC(C[NH+]2CCCCCC2)O

Isomeric SMILES

CC[NH+](CCN(CC)CC)CC1=CC(=CC=C1)OC[C@@H](C[NH+]2CCCCCC2)O

InChI

InChI=1S/C24H43N3O2/c1-4-25(5-2)16-17-26(6-3)19-22-12-11-13-24(18-22)29-21-23(28)20-27-14-9-7-8-10-15-27/h11-13,18,23,28H,4-10,14-17,19-21H2,1-3H3/p+2/t23-/m1/s1