4-[3-(3-methyl-4-propan-2-yl-phenoxy)propoxy]piperidin-1-ium

Systemtic Name: 4-[3-(3-methyl-4-propan-2-yl-phenoxy)propoxy]piperidin-1-ium Openeye Name: 4-[3-(4-isopropyl-3-methyl-phenoxy)propoxy]piperidin-1-ium CAS Name: 4-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]piperidin-1-ium IUPAC Name: 4-[3-(3-methyl-4-propan-2-ylphenoxy)propoxy]piperidin-1-ium Traditional Name: 4-[3-(4-isopropyl-3-methyl-phenoxy)propoxy]piperidin-1-ium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCOC2CC[NH2+]CC2)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCOC2CC[NH2+]CC2)C(C)C

InChI

InChI=1S/C18H29NO2/c1-14(2)18-6-5-17(13-15(18)3)21-12-4-11-20-16-7-9-19-10-8-16/h5-6,13-14,16,19H,4,7-12H2,1-3H3/p+1