2-bromanyl-6-methoxy-4-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]phenol Openeye Name: 2-bromo-6-methoxy-4-[[4-(1-piperidyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-bromo-6-methoxy-4-[[4-(1-piperidinyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-bromo-6-methoxy-4-[(4-piperidin-1-ylpiperidin-1-ium-1-yl)methyl]phenol Traditional Name: 2-bromo-6-methoxy-4-[(4-piperidinopiperidin-1-ium-1-yl)methyl]phenol Formula: C18H28BrN2O2+ MolecularWeight: 384.33112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)N3CCCCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)N3CCCCC3)Br)O

InChI

InChI=1S/C18H27BrN2O2/c1-23-17-12-14(11-16(19)18(17)22)13-20-9-5-15(6-10-20)21-7-3-2-4-8-21/h11-12,15,22H,2-10,13H2,1H3/p+1